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

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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

Weigh it out

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Fluorocyclopropanecarboxylic acid156816-78-3Stereo not defined (1S,2S)-2-Fluorocyclopropanecarboxylic acid127199-14-8Diastereomer (1R,2R)-2-Fluorocyclopropanecarboxylic acid127199-13-7Diastereomer (1S,2S)-2-Fluorocyclopropanecarboxylic acid105919-34-4Diastereomer

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 (1R,2R)-(-)-1,2-Cyclohexanedicarboxylic acid46022-05-348 % similar cis-1,2-Cyclohexanedicarboxylic acid610-09-348 % similar 4-Oxo-1,2-cyclopentanedicarboxylic acid1703-61-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook