chempirical

2,2,2-Trifluoro-N-(2,2,2-trifluoroethyl)ethanamine

C4H5F6NCAS 407-01-2181.08 g/mol

Open in Covalent MOL file
FFFNHFFF
Alkyl halideSecondary amine

Properties

Molecular formula
C4H5F6N
Molar mass
181.08 g/mol
Exact mass
181.0326 Da
Boiling point
79 °C
logP
1.70Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
407-01-2
SMILES
FC(F)(F)CNCC(F)(F)F
InChIKey
GTJGHXLFPMOKCE-UHFFFAOYSA-N
InChI
InChI=1S/C4H5F6N/c5-3(6,7)1-11-2-4(8,9)10/h11H,1-2H2

Weigh it out

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

Names and synonyms

4 names
  • Ethanamine, 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)-
  • Diethylamine, 2,2,2,2′,2′,2′-hexafluoro-
  • Bis(2,2,2-trifluoroethyl)amine
  • N,N-Bis(2,2,2-trifluoroethyl)amine

Work with 2,2,2-Trifluoro-N-(2,2,2-trifluoroethyl)ethanamine

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

(2,2,2-Trifluoroethyl)hydrazine5042-30-850 % similar 2,2,2-Trifluoroethylamine753-90-241 % similar 1,1,1,3,3,3-Hexafluoropropane690-39-140 % similar 1,1,1,2-Tetrafluoroethane811-97-235 % similar 2,2,2-Trifluoroethylamine hydrochloride373-88-635 % similar 1,1′-Oxybis[2,2,2-trifluoroethane]333-36-833 % similar 1,1,1-Trifluoro-2-iodoethane353-83-333 % similar 2-Bromo-1,1,1-trifluoroethane421-06-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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