1-Fluoro-cyclopropanecarboxylic acid

C₄H₅FO₂CAS 137081-41-5104.08 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: 0.57Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

137081-41-5

SMILES

C1CC1(C(=O)O)F

InChIKey

NDCPERCVXDYEFU-UHFFFAOYSA-N

InChI

InChI=1S/C4H5FO2/c5-4(1-2-4)3(6)7/h1-2H2,(H,6,7)

Weigh it out

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

Names and synonyms

1 names

1-Fluorocyclopropane-1-carboxylic acid

Work with 1-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

4-Fluorooxane-4-carboxylic acid1150617-62-171 % similar 1-(Trifluoromethyl)cyclopropanecarboxylic acid277756-46-452 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-850 % similar 1,1-Cyclopropanedicarboxylic acid598-10-750 % similar Bicyclo[2.2.2]octane-1,4-dicarboxylic acid711-02-450 % similar Trifluoroacetic acid76-05-150 % similar 1-Boc-4-fluoro-4-piperidinecarboxylic acid614731-04-349 % similar 1-(Trifluoromethyl)cyclobutanecarboxylic acid277756-45-348 % 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 2-Fluorocyclopropanecarboxylic acid156816-78-3 Methyl 2-fluoroacrylate2343-89-7

Elsewhere

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