1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane

C11F24O — CID 15124850

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F24O/c12-1(13,2(14,15)4(18,19)8(26,27)28)3(16,17)6(22,23)10(32,33)36-11(34,35)7(24,25)5(20,21)9(29,30)31
InChIKeyNCPPXBZHJKRFKO-UHFFFAOYSA-N
MW604.07 g/mol
LogP7.76
Rot. Bonds9

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane (PubChem CID 15124850) has the molecular formula C11F24O and a molecular weight of 604.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane
PubChem CID15124850
Molecular FormulaC11F24O
Molecular Weight604.07 g/mol
Exact Mass603.96
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F24O/c12-1(13,2(14,15)4(18,19)8(26,27)28)3(16,17)6(22,23)10(32,33)36-11(34,35)7(24,25)5(20,21)9(29,30)31
InChIKeyNCPPXBZHJKRFKO-UHFFFAOYSA-N
XLogP7.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane (CID 15124850) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane?
The InChIKey is NCPPXBZHJKRFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F24O/c12-1(13,2(14,15)4(18,19)8(26,27)28)3(16,17)6(22,23)10(32,33)36-11(34,35)7(24,25)5(20,21)9(29,30)31.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane has a molecular weight of 604.07 g/mol, XLogP of 7.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)heptane is sourced from PubChem (CID 15124850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).