2-(Trifluoromethyl)acrylic acid
Properties
- Molecular formula
- C4H3F3O2
- Molar mass
- 140.06 g/mol
- Exact mass
- 140.0085 Da
- Melting point
- 51.5 °C
- Boiling point
- 146–148 °C
- logP
- 1.19Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
381-98-6SMILES
C=C(C(=O)O)C(F)(F)FInChIKey
VLSRKCIBHNJFHA-UHFFFAOYSA-NInChI
InChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2-Propenoic acid, 2-(trifluoromethyl)-
- Acrylic acid, 2-(trifluoromethyl)-
- 2-(Trifluoromethyl)-2-propenoic acid
- α-(Trifluoromethyl)acrylic acid
- 2-Trifluoromethylpropenoic acid
- 2-Trifluoromethylprop-2-enoic acid
- α-Trifluoromethacrylic acid
- 2-(Trifluoromethyl)methacrylic acid
- Trifluoromethyl acrylic acid
Work with 2-(Trifluoromethyl)acrylic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Fluoroacrylic acid430-99-944 % similar
Trifluoroacetic acid76-05-142 % similar
Oxalic acid144-62-740 % similar
2-Bromoacrylic acid10443-65-938 % similar
2-Chloro-2-propenoic acid598-79-838 % similar
Methacrylic acid79-41-438 % similar
Rhodium (II) Trifluoroacetate dimer31126-95-137 % similar
Ammonium trifluoroacetate3336-58-137 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.