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(3-fluoroazetidin-3-yl)methanol - 97%, high purity , CAS No.1268520-93-9
Basic Description
Synonyms
(3-FLUOROAZETIDIN-3-YL)METHANOL | 1268520-93-9 | 3-Azetidinemethanol, 3-fluoro- | SCHEMBL15776289 | PFBYWNBYIPWLRG-UHFFFAOYSA-N | AMY14763 | MFCD18633069 | AKOS006373506 | PB13848 | AS-34705 | CS-0036390 | FT-0754885 | EN300-204507 | A889346
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Alkanolamines
Direct Parent
1,3-aminoalcohols
Alternative Parents
Fluorohydrins Azetidines Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
1,3-aminoalcohol - Azetidine - Fluorohydrin - Halohydrin - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
(3-fluoroazetidin-3-yl)methanol
INCHI
InChI=1S/C4H8FNO/c5-4(3-7)1-6-2-4/h6-7H,1-3H2
InChIKey
PFBYWNBYIPWLRG-UHFFFAOYSA-N
Smiles
C1C(CN1)(CO)F
Isomeric SMILES
C1C(CN1)(CO)F
PubChem CID
53302277
Molecular Weight
105.112
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
105.110 g/mol
XLogP3
-0.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
105.059 Da
Monoisotopic Mass
105.059 Da
Topological Polar Surface Area
32.299 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
72.100
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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