3-(difluoromethyl)azetidine hydrochloride

• ChemBase ID: 239571
• Molecular Formular: C4H8ClF2N
• Molecular Mass: 143.5628264
• Monoisotopic Mass: 143.03133338
• SMILES: C1(C(F)F)CNC1.Cl
• Canonical SMILES: FC(C1CNC1)F.Cl
• InChI: InChI=1S/C4H7F2N.ClH/c5-4(6)3-1-7-2-3;/h3-4,7H,1-2H2;1H
• InChIKey: NYMQWAUMUHQGQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(difluoromethyl)azetidine hydrochloride
• IUPAC Traditional name: 3-(difluoromethyl)azetidine hydrochloride
• Synonyms: 3-(difluoromethyl)azetidine hydrochloride

Database IDs

• MDL Number: MFCD22378762
• PubChem SID: 164295481
• PubChem CID: 66653486

CALCULATED PROPERTIES

• Polarizability: 8.495241 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.4199905
• LogD (pH = 7.4): -2.3101175
• Log P: -0.12268792
• Molar Refractivity: 21.8422 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.518

Product Information

• Purity: 95%