1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane

C7H5F11O — CID 71669115

IUPAC1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-19-2-3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2H2,1H3
InChIKeyXRLUUNOJPPKNQS-UHFFFAOYSA-N
MW314.09 g/mol
LogP3.74
Rot. Bonds5

About 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane

1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane (PubChem CID 71669115) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane
PubChem CID71669115
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-19-2-3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2H2,1H3
InChIKeyXRLUUNOJPPKNQS-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane (CID 71669115) is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane is COCC(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-undecafluoro-6-methoxyhexane?
The InChIKey is XRLUUNOJPPKNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c1-19-2-3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane?
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane has a molecular weight of 314.09 g/mol, XLogP of 3.74, 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-undecafluoro-6-methoxyhexane is sourced from PubChem (CID 71669115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).