1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

C6F14 — CID 9639

💊View drug profile → perflexane
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 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane (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 Name1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
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
Perfluorohexyl copper(i)
CID 14617676
Perfluorohexyllithium
CID 14916896
Bis(copper(1+));1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 14617678
Perfluorohexylmagnesium
CID 129662747
Sodium 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 88282778
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
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl-lambda2-stannane
CID 173568936
CID 177720327
CID 177720327

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane (CID 9639) is 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane 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 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane?
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 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane?
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane 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 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane is sourced from PubChem (CID 9639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).