2-Fluoroisobutyric acid

C₄H₇FO₂CAS 63812-15-7106.10 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₇FO₂
Molar mass: 106.10 g/mol
Exact mass: 106.0430 Da
logP: 0.82Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed90.9% of notifiers
H311 Toxic in contact with skin90.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H330 Fatal if inhaled63.6% of notifiers
H331 Toxic if inhaled27.3% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

63812-15-7

SMILES

CC(C)(C(=O)O)F

InChIKey

NZDOWZQRNZLBOY-UHFFFAOYSA-N

InChI

InChI=1S/C4H7FO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)

Weigh it out

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

Names and synonyms

1 names

2-Fluoro-2-methylpropanoic acid

Work with 2-Fluoroisobutyric 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

2,2-Difluoropropanoic acid373-96-657 % similar 2,2-Bis(trifluoromethyl)propionic acid45048-36-052 % similar 3,3,3-Trifluoro-2,2-dimethylpropanoic acid889940-13-052 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-850 % similar Dimethylmalonic acid595-46-050 % similar Pivalic acid75-98-950 % similar Trifluoroacetic acid76-05-150 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid114715-77-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl fluoroacetate459-72-3 4-Fluorobutanoic acid462-23-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook