1,1,1-Trifluoro-2-propanamine

C3H6F3NCAS 421-49-8113.08 g/mol

Open in Covalent MOL file
H2NFFF
Alkyl halidePrimary amine

Properties

Molecular formula
C3H6F3N
Molar mass
113.08 g/mol
Exact mass
113.0452 Da
Boiling point
46–47 °C
logP
0.90Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

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, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
421-49-8
SMILES
CC(N)C(F)(F)F
InChIKey
SNMLKBMPULDPTA-UHFFFAOYSA-N
InChI
InChI=1S/C3H6F3N/c1-2(7)3(4,5)6/h2H,7H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Propanamine, 1,1,1-trifluoro-
  • Ethylamine, 2,2,2-trifluoro-1-methyl-
  • 2,2,2-Trifluoro-1-methylethylamine
  • 1,1,1-Trifluoroprop-2-ylamine
  • 1,1,1-Trifluoro-2-aminopropane
  • 2-Amino-1,1,1-trifluoropropane

Work with 1,1,1-Trifluoro-2-propanamine

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.

(S)-1,1,1-Trifluoroisopropylamine hydrochloride125353-44-8Salt, defined stereoisomer (R)-2-Amino-1,1,1-trifluoropropane hydrochloride177469-12-4Salt, defined stereoisomer

Similar compounds

(+)-2-Amino-3,3-dimethylbutane22526-47-245 % similar 2-Amino-3,3-dimethylbutane3850-30-445 % similar (R)-3,3-Dimethyl-2-aminobutane66228-31-745 % similar (2S)-1,1,1-Trifluoropropan-2-ol3539-97-738 % similar 1,1,1-Trifluoro-2-propanol374-01-638 % similar Rimantadine13392-28-436 % similar Rimantadine hydrochloride1501-84-432 % similar 4-(Trifluoromethyl)cyclohexanamine58665-70-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook