2,2-Difluorocyclopropane-1-carboxylic acid

C₄H₄F₂O₂CAS 107873-03-0122.07 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₄F₂O₂
Molar mass: 122.07 g/mol
Exact mass: 122.0179 Da
logP: 0.73Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage39.5% of notifiers

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

107873-03-0

SMILES

C1C(C1(F)F)C(=O)O

InChIKey

KMLMOVWSQPHQME-UHFFFAOYSA-N

InChI

InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2,2-Difluorocyclopropanecarboxylic acid

Work with 2,2-Difluorocyclopropane-1-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Hydroxy-2-(trifluoromethyl)propenoic acid382-43-452 % similar 3,3-Difluorocyclobutanecarboxylic acid107496-54-850 % similar 2,2-Dimethyl cyclopropyl carboxylic acid75885-59-550 % similar 2-Amino-4,4,4-trifluorobutanoic acid15959-93-045 % similar 4,4,4-Trifluoro-2-methylbutanoic acid99783-23-045 % similar 2H-Hexafluoro(2-methylpropanoic acid)564-10-344 % similar 4,4-Difluorocyclohexanecarboxylic acid122665-97-842 % similar 3,3,3-Trifluorolactic acid684-07-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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