(2R)-2-(trifluoromethyl)pyrrolidine

• ChemBase ID: 806314
• Molecular Formular: C5H8F3N
• Molecular Mass: 139.1189296
• Monoisotopic Mass: 139.06088392
• SMILES: N1[C@H](CCC1)C(F)(F)F
• Canonical SMILES: FC([C@H]1CCCN1)(F)F
• InChI: InChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/t4-/m1/s1
• InChIKey: VINAMCOZNJHNIH-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(trifluoromethyl)pyrrolidine
• IUPAC Traditional name: (2R)-2-(trifluoromethyl)pyrrolidine
• Synonyms: (R)-(-)-2-(TRIFLUOROMETHYL)PYRROLIDINE

Database IDs

• CAS Number: 1073556-31-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.3908279
• LogD (pH = 7.4): 1.1967195
• Log P: 1.2277822
• Molar Refractivity: 27.3547 cm^3
• Polarizability: 10.227822 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%