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(1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid - 97%, high purity , CAS No.1883301-82-3
Basic Description
Synonyms
1883301-82-3 | (1S)-2,2-difluorocyclopropane-1-carboxylic acid | (S)-2,2-Difluorocyclopropanecarboxylic acid | (S)-2,2-difluorocyclopropane-1-carboxylic acid | Cyclopropanecarboxylic acid, 2,2-difluoro-, (1S)- | MFCD30471588 | SCHEMBL1173556 | TQP0899 | KMLMOVWSQPHQME-RE
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Cyclopropanecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Cyclopropanecarboxylic acids
Alternative Parents
Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclopropanecarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids. These are organic compounds containing a carboxyl group attached to a cyclopropane ring.
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
(1S)-2,2-difluorocyclopropane-1-carboxylic acid
INCHI
InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)/t2-/m0/s1
InChIKey
KMLMOVWSQPHQME-REOHCLBHSA-N
Smiles
C1C(C1(F)F)C(=O)O
Isomeric SMILES
C1[C@H](C1(F)F)C(=O)O
Molecular Weight
122.0702
Reaxy-Rn
3602105
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3602105&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
122.070 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
122.018 Da
Monoisotopic Mass
122.018 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
132.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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