2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine dihydrochloride

• ChemBase ID: 248152
• Molecular Formular: C6H10Cl2F8N2
• Molecular Mass: 333.0502256
• Monoisotopic Mass: 332.00932945
• SMILES: C(C(C(F)(F)CN)(F)F)(C(F)(F)CN)(F)F.Cl.Cl
• Canonical SMILES: NCC(C(C(C(CN)(F)F)(F)F)(F)F)(F)F.Cl.Cl
• InChI: InChI=1S/C6H8F8N2.2ClH/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16;;/h1-2,15-16H2;2*1H
• InChIKey: VHSLSVMYNOESPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine dihydrochloride
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine dihydrochloride
• Synonyms: 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine dihydrochloride

Database IDs

• PubChem SID: 164304062
• PubChem CID: 71758401

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3390172
• LogD (pH = 7.4): 0.7950134
• Log P: 1.3801281
• Molar Refractivity: 36.5406 cm^3
• Polarizability: 14.274433 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.438

Product Information

• Purity: 95%