1-cyclopentyl-2,2,2-trifluoroethan-1-amine hydrochloride

• ChemBase ID: 236138
• Molecular Formular: C7H13ClF3N
• Molecular Mass: 203.6330296
• Monoisotopic Mass: 203.06886176
• SMILES: C(C(C1CCCC1)N)(F)(F)F.Cl
• Canonical SMILES: NC(C(F)(F)F)C1CCCC1.Cl
• InChI: InChI=1S/C7H12F3N.ClH/c8-7(9,10)6(11)5-3-1-2-4-5;/h5-6H,1-4,11H2;1H
• InChIKey: KUXNOAUBDNRTEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-2,2,2-trifluoroethan-1-amine hydrochloride
• IUPAC Traditional name: 1-cyclopentyl-2,2,2-trifluoroethanamine hydrochloride
• Synonyms: 1-cyclopentyl-2,2,2-trifluoroethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22196522
• PubChem SID: 164292048
• PubChem CID: 71656101

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6964741
• LogD (pH = 7.4): 2.0520344
• Log P: 2.059119
• Molar Refractivity: 36.1831 cm^3
• Polarizability: 13.781402 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 226 - 228°C
• Hydrophobicity(logP): 2.0

Product Information

• Purity: 95%