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Perfluorohexane

C6F14 — CID 9639

💊View drug profile → perflexane

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
InChIKeyZJIJAJXFLBMLCK-UHFFFAOYSA-N
MW338.04 g/mol
LogP4.65
Rot. Bonds3

About Perfluorohexane

Perfluorohexane (PubChem CID 9639) has the molecular formula C6F14 and a molecular weight of 338.04 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane.

Molecular Properties

Compound NamePerfluorohexane
PubChem CID9639
Molecular FormulaC6F14
Molecular Weight338.04 g/mol
Exact Mass337.98
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
InChIKeyZJIJAJXFLBMLCK-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Perfluoropentane
CID 12675
Perfluoroheptane
CID 9553
Perfluorohexyllithium
CID 14916896
Bis(copper(1+));1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 14617678
Cobalt;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 141365873
Potassium 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 172755580
CID 173084441
CID 173084441

Frequently Asked Questions

What is the IUPAC name of Perfluorohexane?
The IUPAC name of Perfluorohexane (CID 9639) is 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane.
What is the SMILES notation for Perfluorohexane?
The canonical SMILES for Perfluorohexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of Perfluorohexane?
The InChIKey is ZJIJAJXFLBMLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20.
What are the key properties of Perfluorohexane?
Perfluorohexane has a molecular weight of 338.04 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Perfluorohexane is sourced from PubChem (CID 9639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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