2,2,2-Trifluoroethylamine

C₂H₄F₃NCAS 753-90-299.06 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₂H₄F₃N
Molar mass: 99.06 g/mol
Exact mass: 99.0296 Da
Density: 1.2452 g/mL (at 25 °C)
Boiling point: 37.5 °C
pKa: 5.7
logP: 0.51Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed84.6% of notifiers
H314 Causes severe skin burns and eye damage98.7% of notifiers

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

753-90-2

SMILES

NCC(F)(F)F

InChIKey

KIPSRYDSZQRPEA-UHFFFAOYSA-N

InChI

InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2

Weigh it out

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

Names and synonyms

10 names

Ethanamine, 2,2,2-trifluoro-
Ethylamine, 2,2,2-trifluoro-
2,2,2-Trifluoroethanamine
Trifluoroethylamine
TFEA
β,β,β-Trifluoroethylamine
1-Amino-2,2,2-trifluoroethane
2,2,2-Trifluoro-1-ethanamine
2,2,2-Trifluoro-1-aminoethane
2,2,2-Trifluoroethaneamine

Work with 2,2,2-Trifluoroethylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,2,2-Trifluoroethylamine hydrochloride373-88-6Salt

Similar compounds

2,2,3,3,3-Pentafluoropropylamine422-03-742 % similar 2,2,2-Trifluoro-N-(2,2,2-trifluoroethyl)ethanamine407-01-241 % similar 1,1,1,3,3,3-Hexafluoropropane690-39-140 % similar 3,3,3-Trifluoropropylamine hydrochloride2968-33-438 % similar 2,2,3,3,4,4,4-Heptafluorobutylamine374-99-236 % similar 2,2-Difluoropropylamine hydrochloride868241-48-936 % similar 1,1,1,2-Tetrafluoroethane811-97-235 % similar 2,2,2-Trifluoroethylhydrazine5042-30-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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