Methyl 2-fluoroisobutyrate

C₅H₉FO₂CAS 338-76-1120.12 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₅H₉FO₂
Molar mass: 120.12 g/mol
Exact mass: 120.0587 Da
Boiling point: 108–109 °C
logP: 0.91Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor50% of notifiers
H226 Flammable liquid and vapor50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H318 Causes serious eye damage50% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

338-76-1

SMILES

COC(=O)C(C)(C)F

InChIKey

OEGBOFOVYSOERL-UHFFFAOYSA-N

InChI

InChI=1S/C5H9FO2/c1-5(2,6)4(7)8-3/h1-3H3

Weigh it out

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

Names and synonyms

6 names

Propanoic acid, 2-fluoro-2-methyl-, methyl ester
Propionic acid, 2-fluoro-2-methyl-, methyl ester
Methyl 2-fluoro-2-methylpropionate
Methyl α-fluoro-α-methylpropionate
2-Fluoro-2-methylpropionic acid methyl ester
Methyl 2-fluoro-2-methylpropanoate

Work with Methyl 2-fluoroisobutyrate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl tetrafluorosuccinate356-36-558 % similar Dimethyl difluoromalonate379-95-358 % similar Methyl trifluoroacetate431-47-058 % similar Methyl pivalate598-98-154 % similar Dimethyl hexafluoroglutarate1513-62-852 % similar Methyl 2-chloro-2,2-difluoroacetate1514-87-052 % similar Dimethyl perfluorohexanedioate3107-98-052 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-fluoropropionate127306-59-6 Ethyl 2-fluoropropionate349-43-9 4-Fluorobutyric acid methyl ester406-20-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook