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

C12F26O — CID 54345734

IUPAC1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F26O/c13-1(3(15,7(22,23)24)8(25,26)27,2(14,6(19,20)21)4(16,17)9(28,29)30)5(18,10(31,32)33)39-12(37,38)11(34,35)36
InChIKeyUCEPTNXFZQQZNG-UHFFFAOYSA-N
MW654.08 g/mol
LogP8.40
Rot. Bonds6

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

1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane (PubChem CID 54345734) has the molecular formula C12F26O and a molecular weight of 654.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane
PubChem CID54345734
Molecular FormulaC12F26O
Molecular Weight654.08 g/mol
Exact Mass653.95
IUPAC Name1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F26O/c13-1(3(15,7(22,23)24)8(25,26)27,2(14,6(19,20)21)4(16,17)9(28,29)30)5(18,10(31,32)33)39-12(37,38)11(34,35)36
InChIKeyUCEPTNXFZQQZNG-UHFFFAOYSA-N
XLogP8.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.08
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane (CID 54345734) is 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane is FC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane?
The InChIKey is UCEPTNXFZQQZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F26O/c13-1(3(15,7(22,23)24)8(25,26)27,2(14,6(19,20)21)4(16,17)9(28,29)30)5(18,10(31,32)33)39-12(37,38)11(34,35)36.
What are the key properties of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane?
1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane has a molecular weight of 654.08 g/mol, XLogP of 8.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethoxy)-3-(trifluoromethyl)hexane is sourced from PubChem (CID 54345734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).