3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine

• ChemBase ID: 262815
• Molecular Formular: C6H8F3N
• Molecular Mass: 151.1296296
• Monoisotopic Mass: 151.06088392
• SMILES: C12(C(F)(F)F)CC(C1)(C2)N
• Canonical SMILES: FC(C12CC(C1)(C2)N)(F)F
• InChI: InChI=1S/C6H8F3N/c7-6(8,9)4-1-5(10,2-4)3-4/h1-3,10H2
• InChIKey: XQLPDYULYMGLGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine
• IUPAC Traditional name: 3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine
• Synonyms: 3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine

Database IDs

• MDL Number: MFCD17480480
• PubChem SID: 164318725
• PubChem CID: 23237085

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3379288
• LogD (pH = 7.4): -1.9282898
• Log P: 0.68640345
• Molar Refractivity: 29.8452 cm^3
• Polarizability: 11.3274145 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.247

Product Information

• Purity: 95%