(2S)-2-(difluoromethyl)pyrrolidine hydrochloride

• ChemBase ID: 244207
• Molecular Formular: C5H10ClF2N
• Molecular Mass: 157.5894064
• Monoisotopic Mass: 157.04698345
• SMILES: N1[C@H](C(F)F)CCC1.Cl
• Canonical SMILES: FC([C@@H]1CCCN1)F.Cl
• InChI: InChI=1S/C5H9F2N.ClH/c6-5(7)4-2-1-3-8-4;/h4-5,8H,1-3H2;1H/t4-;/m0./s1
• InChIKey: RDIHQUJWAQSJNK-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(difluoromethyl)pyrrolidine hydrochloride
• IUPAC Traditional name: (2S)-2-(difluoromethyl)pyrrolidine hydrochloride
• Synonyms: (2S)-2-(difluoromethyl)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22628479
• PubChem SID: 164300117
• PubChem CID: 71757451

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7799417
• LogD (pH = 7.4): -0.046014383
• Log P: 0.73902184
• Molar Refractivity: 26.465 cm^3
• Polarizability: 10.284529 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.941

Product Information

• Purity: 95%