(cyclopropylmethyl)(3,3,3-trifluoropropyl)amine hydrochloride

• ChemBase ID: 236089
• Molecular Formular: C7H13ClF3N
• Molecular Mass: 203.6330296
• Monoisotopic Mass: 203.06886176
• SMILES: C(CCNCC1CC1)(F)(F)F.Cl
• Canonical SMILES: FC(CCNCC1CC1)(F)F.Cl
• InChI: InChI=1S/C7H12F3N.ClH/c8-7(9,10)3-4-11-5-6-1-2-6;/h6,11H,1-5H2;1H
• InChIKey: FCWRXBKVRGHZHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(3,3,3-trifluoropropyl)amine hydrochloride
• IUPAC Traditional name: (cyclopropylmethyl)(3,3,3-trifluoropropyl)amine hydrochloride
• Synonyms: (cyclopropylmethyl)(3,3,3-trifluoropropyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22196510
• PubChem SID: 164291999
• PubChem CID: 21916157

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7617602
• LogD (pH = 7.4): -0.6360112
• Log P: 1.5323554
• Molar Refractivity: 36.5373 cm^3
• Polarizability: 13.780948 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 289 - 291°C
• Hydrophobicity(logP): 1.227

Product Information

• Purity: 95%