1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane

C11F24O — CID 15124853

IUPAC1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F24O/c12-2(13,5(18,9(28,29)30)36-11(34,35)10(31,32)33)1(6(19,20)21,3(14,15)7(22,23)24)4(16,17)8(25,26)27
InChIKeyKABPKMJQPTWELN-UHFFFAOYSA-N
MW604.07 g/mol
LogP7.97
Rot. Bonds6

About 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane

1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane (PubChem CID 15124853) has the molecular formula C11F24O and a molecular weight of 604.07 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane
PubChem CID15124853
Molecular FormulaC11F24O
Molecular Weight604.07 g/mol
Exact Mass603.96
IUPAC Name1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F24O/c12-2(13,5(18,9(28,29)30)36-11(34,35)10(31,32)33)1(6(19,20)21,3(14,15)7(22,23)24)4(16,17)8(25,26)27
InChIKeyKABPKMJQPTWELN-UHFFFAOYSA-N
XLogP7.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.07
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane (CID 15124853) is 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane is FC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane?
The InChIKey is KABPKMJQPTWELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F24O/c12-2(13,5(18,9(28,29)30)36-11(34,35)10(31,32)33)1(6(19,20)21,3(14,15)7(22,23)24)4(16,17)8(25,26)27.
What are the key properties of 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane?
1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane has a molecular weight of 604.07 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hexane is sourced from PubChem (CID 15124853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).