tetratriacontafluorohexadecane

• ChemBase ID: 98741
• Molecular Formular: C16F34
• Molecular Mass: 838.1169088
• Monoisotopic Mass: 837.94570948
• SMILES: FC(F)(F)C(F)(C(C(C(F)(F)C(C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C16F34/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50
• InChIKey: AQPUCGPFMVEJGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetratriacontafluorohexadecane
• IUPAC Traditional name: tetratriacontafluorohexadecane
• Synonyms: Tetratriacontafluorohexadecane; Perfluorohexadecane

Database IDs

• CAS Number: 355-49-7
• MDL Number: MFCD00042085
• PubChem SID: 162085113
• PubChem CID: 67735

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.890716
• LogD (pH = 7.4): 11.890716
• Log P: 11.890716
• Molar Refractivity: 78.2212 cm^3
• Polarizability: 31.637966 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 125-126°C
• Boiling Point: 239-240°C
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant