2-cyclopropyl-1,1,1-trifluoropropan-2-amine hydrochloride

• ChemBase ID: 284865
• Molecular Formular: C6H11ClF3N
• Molecular Mass: 189.6064496
• Monoisotopic Mass: 189.0532117
• SMILES: C(C(C1CC1)(N)C)(F)(F)F.Cl
• Canonical SMILES: CC(C(F)(F)F)(C1CC1)N.Cl
• InChI: InChI=1S/C6H10F3N.ClH/c1-5(10,4-2-3-4)6(7,8)9;/h4H,2-3,10H2,1H3;1H
• InChIKey: QCWWTADKBXCZKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-1,1,1-trifluoropropan-2-amine hydrochloride
• IUPAC Traditional name: 2-cyclopropyl-1,1,1-trifluoropropan-2-amine hydrochloride
• Synonyms: 2-cyclopropyl-1,1,1-trifluoropropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD20731163
• PubChem SID: 180670396
• PubChem CID: 56804636

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.95190644
• LogD (pH = 7.4): 1.4389238
• Log P: 1.4505584
• Molar Refractivity: 31.6193 cm^3
• Polarizability: 11.997668 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 1.191

Product Information

• Purity: 95%