Ethenyl 2,2,2-trifluoroacetate

C₄H₃F₃O₂CAS 433-28-3140.06 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₄H₃F₃O₂
Molar mass: 140.06 g/mol
Exact mass: 140.0085 Da
Density: 1.2031 g/mL (at 25 °C)
Boiling point: 39.5–40.5 °C
logP: 1.24Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed90.9% of notifiers
H312 Harmful in contact with skin90.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

433-28-3

SMILES

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

InChIKey

ZBGRMWIREQJHPK-UHFFFAOYSA-N

InChI

InChI=1S/C4H3F3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2

Weigh it out

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

Names and synonyms

4 names

Acetic acid, 2,2,2-trifluoro-, ethenyl ester
Acetic acid, trifluoro-, vinyl ester
Acetic acid, trifluoro-, ethenyl ester
Vinyl trifluoroacetate

Work with Ethenyl 2,2,2-trifluoroacetate

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

Vinyl pivalate3377-92-256 % similar Allyl trifluoroacetate383-67-550 % similar Trifluoroacetic anhydride407-25-050 % similar Methyl trifluoroacetate431-47-044 % similar Pentafluorophenyl trifluoroacetate14533-84-742 % similar Ethyl trifluoroacetate383-63-140 % similar Isopropyl trifluoroacetate400-38-440 % similar Trimethyl(trifluoroacetato)silane400-53-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Trifluoromethyl)acrylic acid381-98-6 4,4,4-Trifluorocrotonic acid71027-02-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook