1,1,1,2,2,5,5,6,6,6-decafluorohexane

C6H4F10 — CID 12025749

IUPAC1,1,1,2,2,5,5,6,6,6-decafluorohexane
SMILESFC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10/c7-3(8,5(11,12)13)1-2-4(9,10)6(14,15)16/h1-2H2
InChIKeyFUCPNELYUCUXTJ-UHFFFAOYSA-N
MW266.08 g/mol
LogP4.16
Rot. Bonds3

About 1,1,1,2,2,5,5,6,6,6-decafluorohexane

1,1,1,2,2,5,5,6,6,6-decafluorohexane (PubChem CID 12025749) has the molecular formula C6H4F10 and a molecular weight of 266.08 g/mol. Its IUPAC name is 1,1,1,2,2,5,5,6,6,6-decafluorohexane.

Molecular Properties

Compound Name1,1,1,2,2,5,5,6,6,6-decafluorohexane
PubChem CID12025749
Molecular FormulaC6H4F10
Molecular Weight266.08 g/mol
Exact Mass266.02
IUPAC Name1,1,1,2,2,5,5,6,6,6-decafluorohexane
SMILESFC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10/c7-3(8,5(11,12)13)1-2-4(9,10)6(14,15)16/h1-2H2
InChIKeyFUCPNELYUCUXTJ-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,5,5,6,6,6-decafluorohexane?
The IUPAC name of 1,1,1,2,2,5,5,6,6,6-decafluorohexane (CID 12025749) is 1,1,1,2,2,5,5,6,6,6-decafluorohexane.
What is the SMILES notation for 1,1,1,2,2,5,5,6,6,6-decafluorohexane?
The canonical SMILES for 1,1,1,2,2,5,5,6,6,6-decafluorohexane is FC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5,5,6,6,6-decafluorohexane?
The InChIKey is FUCPNELYUCUXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10/c7-3(8,5(11,12)13)1-2-4(9,10)6(14,15)16/h1-2H2.
What are the key properties of 1,1,1,2,2,5,5,6,6,6-decafluorohexane?
1,1,1,2,2,5,5,6,6,6-decafluorohexane has a molecular weight of 266.08 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5,5,6,6,6-decafluorohexane is sourced from PubChem (CID 12025749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).