chempirical

1-Fluoro-cyclopropanecarboxylic acid

C4H5FO2CAS 137081-41-5104.08 g/mol

Open in Covalent MOL file
OHOF
Alkyl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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)

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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-Fluorotetrahydro-2H-pyran-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 Trifluoroacetic acid76-05-150 % similar 1-(Trifluoromethyl)cyclobutanecarboxylic acid277756-45-348 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-844 % similar Ammonium trifluoroacetate3336-58-144 % 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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