4,4,4-Trifluorocrotonic acid

C₄H₃F₃O₂CAS 71027-02-6140.06 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₃F₃O₂
Molar mass: 140.06 g/mol
Exact mass: 140.0085 Da
logP: 1.19Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H319 Causes serious eye irritation90.7% of notifiers
H335 May cause respiratory irritation90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, P501

Identifiers

CAS number

71027-02-6

SMILES

C(=C/C(F)(F)F)\C(=O)O

InChIKey

QZBAYURFHCTXOJ-OWOJBTEDSA-N

InChI

InChI=1S/C4H3F3O2/c5-4(6,7)2-1-3(8)9/h1-2H,(H,8,9)/b2-1+

Weigh it out

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

Work with 4,4,4-Trifluorocrotonic 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

Maleic acid110-16-752 % similar Fumaric acid110-17-852 % similar Poly(maleic acid)26099-09-252 % similar 4,4,4-Trifluorocrotonamide590-76-148 % similar Cis,cis-Muconic acid1119-72-848 % similar Muconic acid3588-17-848 % similar Crotonic acid107-93-744 % similar Crotonic acid3724-65-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Trifluoromethyl)acrylic acid381-98-6 Ethenyl 2,2,2-trifluoroacetate433-28-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook