3-(trifluoromethyl)azetidin-3-amine

• ChemBase ID: 282589
• Molecular Formular: C4H7F3N2
• Molecular Mass: 140.1069896
• Monoisotopic Mass: 140.05613289
• SMILES: C(C1(N)CNC1)(F)(F)F
• Canonical SMILES: FC(C1(N)CNC1)(F)F
• InChI: InChI=1S/C4H7F3N2/c5-4(6,7)3(8)1-9-2-3/h9H,1-2,8H2
• InChIKey: KAJYBNYFCRXKCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trifluoromethyl)azetidin-3-amine
• IUPAC Traditional name: 3-(trifluoromethyl)azetidin-3-amine
• Synonyms: 3-(trifluoromethyl)azetidin-3-amine

Database IDs

• MDL Number: MFCD18380778
• PubChem SID: 180668120
• PubChem CID: 50989638

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6272552
• LogD (pH = 7.4): -0.8961399
• Log P: -0.22275521
• Molar Refractivity: 25.6841 cm^3
• Polarizability: 9.968779 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.746

Product Information

• Purity: 95%