2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine

• ChemBase ID: 99193
• Molecular Formular: C6H4F11N
• Molecular Mass: 299.0850952
• Monoisotopic Mass: 299.01680955
• SMILES: NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H4F11N/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1,18H2
• InChIKey: FDIHRNYGDZQEAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine
• Synonyms: 2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexylamine; 1H,1H-Perfluorohexylamine

Database IDs

• CAS Number: 355-34-0
• PubChem SID: 162085483
• PubChem CID: 21923864

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2726367
• LogD (pH = 7.4): 2.8396516
• Log P: 3.1322083
• Molar Refractivity: 34.0409 cm^3
• Polarizability: 13.261312 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 107°C/740mm

Safety Information

• Storage Warning: Irritant