1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane

C7F16O — CID 23235123

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane
SMILESFC(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O/c8-1(9,3(12,13)5(16,17)18)2(10,11)4(14,15)6(19,20)24-7(21,22)23
InChIKeyUXEPJHHMZSDPCV-UHFFFAOYSA-N
MW404.04 g/mol
LogP5.22
Rot. Bonds5

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane (PubChem CID 23235123) has the molecular formula C7F16O and a molecular weight of 404.04 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane
PubChem CID23235123
Molecular FormulaC7F16O
Molecular Weight404.04 g/mol
Exact Mass403.97
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane
SMILESFC(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O/c8-1(9,3(12,13)5(16,17)18)2(10,11)4(14,15)6(19,20)24-7(21,22)23
InChIKeyUXEPJHHMZSDPCV-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.04
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane (CID 23235123) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane is FC(F)(F)OC(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-tridecafluoro-6-(trifluoromethoxy)hexane?
The InChIKey is UXEPJHHMZSDPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F16O/c8-1(9,3(12,13)5(16,17)18)2(10,11)4(14,15)6(19,20)24-7(21,22)23.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(trifluoromethoxy)hexane has a molecular weight of 404.04 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 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-tridecafluoro-6-(trifluoromethoxy)hexane is sourced from PubChem (CID 23235123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).