chempirical

2-Fluorocyclopropanecarboxylic acid

C4H5FO2CAS 156816-78-3104.08 g/mol

Open in Covalent MOL file
FOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C4H5FO2
Molar mass
104.08 g/mol
Exact mass
104.0274 Da
logP
0.43Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
156816-78-3
SMILES
C1C(C1F)C(=O)O
InChIKey
HZQKMZGKYVDMCT-UHFFFAOYSA-N
InChI
InChI=1S/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)

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

Names and synonyms

1 names
  • 2-Fluorocyclopropane-1-carboxylic acid

Work with 2-Fluorocyclopropanecarboxylic 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

(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-652 % similar Rel-(1R,2R,3S,4S)-1,2,3,4-cyclopentanetetracarboxylic acid3786-91-252 % similar trans-1,2-Cyclopentanedicarboxylic acid1461-97-848 % similar 1,2-Cyclohexanedicarboxylic acid1687-30-548 % similar (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-048 % similar cis-1,2-Cyclohexanedicarboxylic acid610-09-348 % similar 4-Oxo-1,2-cyclopentanedicarboxylic acid1703-61-346 % similar Rel-(1R,2S)-4-cyclohexene-1,2-dicarboxylic acid2305-26-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1S,2S)-2-Fluorocyclopropanecarboxylic acid105919-34-4 (1R,2R)-2-Fluorocyclopropanecarboxylic acid127199-13-7 (1S,2S)-2-Fluorocyclopropanecarboxylic acid127199-14-8 trans-2-Fluoro-cyclopropanecarboxylic acid130340-04-4 1-Fluoro-cyclopropanecarboxylic acid137081-41-5 Methyl 2-fluoroacrylate2343-89-7

Elsewhere

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