1,1,1-trifluoro-4,4-dimethylpentan-2-amine hydrochloride

• ChemBase ID: 247678
• Molecular Formular: C7H15ClF3N
• Molecular Mass: 205.6489096
• Monoisotopic Mass: 205.08451183
• SMILES: C(C(CC(C)(C)C)N)(F)(F)F.Cl
• Canonical SMILES: NC(C(F)(F)F)CC(C)(C)C.Cl
• InChI: InChI=1S/C7H14F3N.ClH/c1-6(2,3)4-5(11)7(8,9)10;/h5H,4,11H2,1-3H3;1H
• InChIKey: RMDGTWRYXHACAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoro-4,4-dimethylpentan-2-amine hydrochloride
• IUPAC Traditional name: 1,1,1-trifluoro-4,4-dimethylpentan-2-amine hydrochloride
• Synonyms: 1,1,1-trifluoro-4,4-dimethylpentan-2-amine hydrochloride

Database IDs

• PubChem SID: 164303588
• PubChem CID: 71758279

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9902992
• LogD (pH = 7.4): 2.294704
• Log P: 2.3003697
• Molar Refractivity: 37.9364 cm^3
• Polarizability: 14.464671 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.294

Product Information

• Purity: 95%