1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane

C8H2F16 — CID 15717414

IUPAC1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane
SMILESFC(F)C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F16/c9-1(2(10)11)3(6(16,17)18,7(19,20)21)4(12,13)5(14,15)8(22,23)24/h1-2H
InChIKeyXEZPFXNWHCGJSJ-UHFFFAOYSA-N
MW402.07 g/mol
LogP5.53
Rot. Bonds4

About 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane

1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane (PubChem CID 15717414) has the molecular formula C8H2F16 and a molecular weight of 402.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane
PubChem CID15717414
Molecular FormulaC8H2F16
Molecular Weight402.07 g/mol
Exact Mass401.99
IUPAC Name1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane
SMILESFC(F)C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F16/c9-1(2(10)11)3(6(16,17)18,7(19,20)21)4(12,13)5(14,15)8(22,23)24/h1-2H
InChIKeyXEZPFXNWHCGJSJ-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.07
LogP ≤ 55.53
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 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane (CID 15717414) is 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane is FC(F)C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane?
The InChIKey is XEZPFXNWHCGJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F16/c9-1(2(10)11)3(6(16,17)18,7(19,20)21)4(12,13)5(14,15)8(22,23)24/h1-2H.
What are the key properties of 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane?
1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane has a molecular weight of 402.07 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,6,6-decafluoro-4,4-bis(trifluoromethyl)hexane is sourced from PubChem (CID 15717414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).