2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-amine hydrochloride

• ChemBase ID: 99205
• Molecular Formular: C8H5ClF15N
• Molecular Mass: 435.561048
• Monoisotopic Mass: 434.98710015
• SMILES: NCC(C(C(C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl
• Canonical SMILES: NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl
• InChI: InChI=1S/C8H4F15N.ClH/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h1,24H2;1H
• InChIKey: YFCHWDBOGIPKCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-amine hydrochloride
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-amine hydrochloride
• Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctylamine hydrochloride; 1H,1H-Perfluorooctylamine hydrochloride

Database IDs

• CAS Number: 5678-75-1
• PubChem SID: 162085495
• PubChem CID: 45933747

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6739213
• LogD (pH = 7.4): 4.2409368
• Log P: 4.5334935
• Molar Refractivity: 43.3769 cm^3
• Polarizability: 17.0851 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 278-280°C
• Flash Point: >110°C

Safety Information

• Storage Warning: Irritant