2,2,2-Trifluoro-N-(2,2,2-trifluoroethyl)ethanamine
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
Hazards
Danger
- H225 Highly Flammable liquid and vapor22.2% of notifiers
- H226 Flammable liquid and vapor11.1% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled22.2% of notifiers
- H302 Harmful if swallowed88.9% of notifiers
- H312 Harmful in contact with skin77.8% of notifiers
- H314 Causes severe skin burns and eye damage88.9% of notifiers
- H319 Causes serious eye irritation11.1% of notifiers
- H332 Harmful if inhaled77.8% of notifiers
Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
407-01-2SMILES
FC(F)(F)CNCC(F)(F)FInChIKey
GTJGHXLFPMOKCE-UHFFFAOYSA-NInChI
InChI=1S/C4H5F6N/c5-3(6,7)1-11-2-4(8,9)10/h11H,1-2H2Weigh 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-Trifluoroethylhydrazine5042-30-850 % similar
3,3-Difluoroazetidine hydrochloride288315-03-742 % similar
2,2,2-Trifluoroethylamine753-90-241 % similar
1,1,1,3,3,3-Hexafluoropropane690-39-140 % similar
3-(Trifluoromethyl)azetidin-3-ol hydrochloride848192-96-139 % similar
1,1,1,2-Tetrafluoroethane811-97-235 % similar
2,2,2-Trifluoroethylamine hydrochloride373-88-635 % similar
2-Amino-N-(2,2,2-trifluoroethyl)acetamide359821-38-835 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.