(cyclobutylmethyl)(2,2,2-trifluoroethyl)amine hydrochloride

• ChemBase ID: 234925
• Molecular Formular: C7H13ClF3N
• Molecular Mass: 203.6330296
• Monoisotopic Mass: 203.06886176
• SMILES: C(F)(F)(F)CNCC1CCC1.Cl
• Canonical SMILES: FC(CNCC1CCC1)(F)F.Cl
• InChI: InChI=1S/C7H12F3N.ClH/c8-7(9,10)5-11-4-6-2-1-3-6;/h6,11H,1-5H2;1H
• InChIKey: FZTUIHXRRKGIAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclobutylmethyl)(2,2,2-trifluoroethyl)amine hydrochloride
• IUPAC Traditional name: (cyclobutylmethyl)(2,2,2-trifluoroethyl)amine hydrochloride
• Synonyms: (cyclobutylmethyl)(2,2,2-trifluoroethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22056340
• PubChem SID: 164290835
• PubChem CID: 21916234

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.575089
• LogD (pH = 7.4): 1.9787815
• Log P: 1.9873637
• Molar Refractivity: 36.6865 cm^3
• Polarizability: 13.781315 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.807

Product Information

• Purity: 95%