trans-2-Fluoro-cyclopropanecarboxylic acid

C₄H₅FO₂CAS 130340-04-4104.08 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

130340-04-4

SMILES

C1[C@@H]([C@H]1F)C(=O)O

InChIKey

HZQKMZGKYVDMCT-HRFVKAFMSA-N

InChI

InChI=1S/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3-/m0/s1

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Names and synonyms

1 names

(1R,2S)-2-Fluorocyclopropane-1-carboxylic acid

Work with trans-2-Fluoro-cyclopropanecarboxylic 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 1-Fluoro-cyclopropanecarboxylic acid137081-41-5 Methyl 2-fluoroacrylate2343-89-7

Elsewhere

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