chempirical

2-(Trifluoromethyl)pyrrolidine

C5H8F3NCAS 119618-29-0139.12 g/mol

Open in Covalent MOL file
NHFFF
Alkyl halideSecondary amine

Properties

Molecular formula
C5H8F3N
Molar mass
139.12 g/mol
Exact mass
139.0609 Da
logP
1.30Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
119618-29-0
SMILES
C1CC(NC1)C(F)(F)F
InChIKey
VINAMCOZNJHNIH-UHFFFAOYSA-N
InChI
InChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2

Weigh it out

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

Work with 2-(Trifluoromethyl)pyrrolidine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Trifluoromethyl)piperidine657-36-338 % similar α,α-Diphenyl-L-prolinol112068-01-638 % similar (R)-α,α-Diphenylprolinol22348-32-938 % similar (2R)-2-Methylpyrrolidine41720-98-335 % similar 2-Methylpyrrolidine765-38-835 % similar (4As,7as)-octahydro-1H-pyrrolo[3,4-B]pyridine151213-40-034 % similar (4Ar,7ar)-octahydro-1H-pyrrolo[3,4-B]pyridine151213-42-234 % similar 4-(Trifluoromethyl)piperidine hydrochloride155849-49-334 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook