4-Fluorobutanoic acid

C₄H₇FO₂CAS 462-23-7106.10 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
Boiling point: 60–62 °C (at 2 Torr)
logP: 0.82Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

462-23-7

SMILES

O=C(O)CCCF

InChIKey

BDXSWIQVLYXSSU-UHFFFAOYSA-N

InChI

InChI=1S/C4H7FO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

Weigh it out

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

Names and synonyms

3 names

Butanoic acid, 4-fluoro-
Butyric acid, 4-fluoro-
4-Fluorobutyric acid

Work with 4-Fluorobutanoic 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

3-Fluoropropanoic acid461-56-380 % similar Glutaric acid110-94-165 % similar Adipic acid124-04-965 % similar Pimelic acid111-16-062 % similar Sebacic acid111-20-662 % similar Azelaic acid123-99-962 % similar Pentadecanedioic acid1460-18-062 % similar Undecanedioic acid1852-04-662 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl fluoroacetate459-72-3 2-Fluoroisobutyric acid63812-15-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook