bis(2,2,3,3,3-pentafluoropropyl)amine

• ChemBase ID: 11823
• Molecular Formular: C6H5F10N
• Molecular Mass: 281.094632
• Monoisotopic Mass: 281.02623137
• SMILES: N(CC(C(F)(F)F)(F)F)CC(C(F)(F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(CNCC(C(F)(F)F)(F)F)F
• InChI: InChI=1S/C6H5F10N/c7-3(8,5(11,12)13)1-17-2-4(9,10)6(14,15)16/h17H,1-2H2
• InChIKey: GFCAENPEZRYHBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2,2,3,3,3-pentafluoropropyl)amine
• IUPAC Traditional name: bis(2,2,3,3,3-pentafluoropropyl)amine
• Synonyms: Bis(2,2,3,3,3-pentafluoropropyl)amine; Bis(2,2,3,3,3-pentafluoropropyl)amine (97% min)

Database IDs

• CAS Number: 883498-76-8
• MDL Number: MFCD04038263
• PubChem SID: 160975130
• PubChem CID: 2782229

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1174254
• LogD (pH = 7.4): 3.1185846
• Log P: 3.1185994
• Molar Refractivity: 34.9296 cm^3
• Polarizability: 13.1129265 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 101-103°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%