3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine

• ChemBase ID: 15282
• Molecular Formular: C10H6F17N
• Molecular Mass: 463.1341944
• Monoisotopic Mass: 463.02287894
• SMILES: NCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: NCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H6F17N/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2,28H2
• InChIKey: PFINVJYJNJHTFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
• Synonyms: 1H,1H,2H,2H-Perfluorodecylamine; 2-(Perfluorooctyl)ethylamine; 1H,1H,2H,2H-Perfluorodecylamine 97%

Database IDs

• CAS Number: 30670-30-5
• MDL Number: MFCD06248653
• PubChem SID: 160978589
• PubChem CID: 2783341

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4852211
• LogD (pH = 7.4): 3.0248544
• Log P: 5.5044394
• Molar Refractivity: 52.4967 cm^3
• Polarizability: 20.581005 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 73°C/7mm

Safety Information

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

Product Information

• Purity: 97%