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1,1-difluorospiro[2.5]octan-6-one - 97%, high purity , CAS No.1513853-81-0

COA

Grade & Purity:

≥97%

Cas Number: 1513853-81-0
Molecular Weight: 160.16
EC Number: 853-953-7
PubChem CID: 90017183

In stock

Item Number

D629499

Grouped product items
SKU	Size	Availability	Price
D629499-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$96.90
D629499-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
D629499-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90
D629499-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$583.90

Basic Description

Synonyms	2,2-difluorospiro[2.5]octan-6-one \| AKOS025312679 \| F1905-6481 \| AS-37210 \| RXGUBKPAVIABEV-UHFFFAOYSA-N \| CCG-358116 \| AB89716 \| EN300-265231 \| SCHEMBL15537876 \| SY213971 \| 1,1-difluorospiro[2.5]octan-6-one \| 1513853-81-0 \| MFCD28126838
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
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	2,2-difluorospiro[2.5]octan-6-one
INCHI	InChI=1S/C8H10F2O/c9-8(10)5-7(8)3-1-6(11)2-4-7/h1-5H2
InChIKey	RXGUBKPAVIABEV-UHFFFAOYSA-N
Smiles	C1CC2(CCC1=O)CC2(F)F
Isomeric SMILES	C1CC2(CCC1=O)CC2(F)F
Alternate CAS	1513853-81-0
PubChem CID	90017183
Molecular Weight	160.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.160 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	160.07 Da
Monoisotopic Mass	160.07 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	200.000
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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