1,1,1-trifluoro-2-methylpropan-2-amine

• ChemBase ID: 240462
• Molecular Formular: C4H8F3N
• Molecular Mass: 127.1082296
• Monoisotopic Mass: 127.06088392
• SMILES: C(C(N)(C)C)(F)(F)F
• Canonical SMILES: CC(C(F)(F)F)(N)C
• InChI: InChI=1S/C4H8F3N/c1-3(2,8)4(5,6)7/h8H2,1-2H3
• InChIKey: YFBWGBFWVFEGEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoro-2-methylpropan-2-amine
• IUPAC Traditional name: 1,1,1-trifluoro-2-methylpropan-2-amine
• Synonyms: 1,1,1-trifluoro-2-methylpropan-2-amine

Database IDs

• MDL Number: MFCD04972981
• PubChem SID: 164296372
• PubChem CID: 11275188

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.63215643
• LogD (pH = 7.4): 1.0187553
• Log P: 1.0267891
• Molar Refractivity: 24.4259 cm^3
• Polarizability: 9.131 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.747

Product Information

• Purity: 95%