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tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate - 97%, high purity , CAS No.1466514-76-0

COA

Grade & Purity:

≥97%

Cas Number: 1466514-76-0
Molecular Weight: 207.22
MDL number: MFCD28133687
PubChem CID: 89861673

In stock

Item Number

T629370

Grouped product items
SKU	Size	Availability	Price
T629370-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
T629370-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$232.90
T629370-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
T629370-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
T629370-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,911.90

Basic Description

Synonyms	tert-Butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate \| 1466514-76-0 \| SCHEMBL15335051 \| MFCD28133687 \| SB22121 \| AS-42994 \| 1-Boc-3-fluoro-3-(fluoromethyl)azetidine \| CS-0048296 \| EN300-7421839 \| t-Butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxy
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azetidines
    - Subclass Azetidinecarboxylic acids or derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Azetidinecarboxylic acids
Alternative Parents	Carbamate esters Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate
INCHI	InChI=1S/C9H15F2NO2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h4-6H2,1-3H3
InChIKey	LIRXHHZHOTUWNP-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)(CF)F
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)(CF)F
PubChem CID	89861673
Molecular Weight	207.22

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.220 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	207.107 Da
Monoisotopic Mass	207.107 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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