1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane

C11F24O — CID 88672146

IUPAC1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F24O/c12-2(13,4(16,17)9(28,29)30)1(7(22,23)24,3(14,15)8(25,26)27)36-11(34,35)6(20,21)5(18,19)10(31,32)33
InChIKeyWCFNSZIOCVZSDH-UHFFFAOYSA-N
MW604.07 g/mol
LogP7.76
Rot. Bonds7

About 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane

1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane (PubChem CID 88672146) has the molecular formula C11F24O and a molecular weight of 604.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane
PubChem CID88672146
Molecular FormulaC11F24O
Molecular Weight604.07 g/mol
Exact Mass603.96
IUPAC Name1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F24O/c12-2(13,4(16,17)9(28,29)30)1(7(22,23)24,3(14,15)8(25,26)27)36-11(34,35)6(20,21)5(18,19)10(31,32)33
InChIKeyWCFNSZIOCVZSDH-UHFFFAOYSA-N
XLogP7.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.07
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane (CID 88672146) is 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane?
The InChIKey is WCFNSZIOCVZSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F24O/c12-2(13,4(16,17)9(28,29)30)1(7(22,23)24,3(14,15)8(25,26)27)36-11(34,35)6(20,21)5(18,19)10(31,32)33.
What are the key properties of 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane?
1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane has a molecular weight of 604.07 g/mol, XLogP of 7.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane is sourced from PubChem (CID 88672146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).