bis(3,3,3-trifluoropropyl)amine

• ChemBase ID: 96885
• Molecular Formular: C6H9F6N
• Molecular Mass: 209.1327792
• Monoisotopic Mass: 209.06391861
• SMILES: N(CCC(F)(F)F)CCC(F)(F)F
• Canonical SMILES: FC(CCNCCC(F)(F)F)(F)F
• InChI: InChI=1S/C6H9F6N/c7-5(8,9)1-3-13-4-2-6(10,11)12/h13H,1-4H2
• InChIKey: BCJXLCSPWYKZAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3,3,3-trifluoropropyl)amine
• IUPAC Traditional name: bis(3,3,3-trifluoropropyl)amine
• Synonyms: Bis(1H,1H,2H,2H-perfluoropropyl)amine; Bis(3,3,3-trifluoropropyl)amine 97%

Database IDs

• CAS Number: 201057-04-7
• MDL Number: MFCD07784275
• PubChem SID: 162083529
• PubChem CID: 26941379

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2027136
• LogD (pH = 7.4): 0.44408146
• Log P: 1.7913548
• Molar Refractivity: 34.4972 cm^3
• Polarizability: 12.674924 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable