1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane

C8H5F11O — CID 22292468

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane
SMILESCOCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F11O/c1-20-2-3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h2H2,1H3
InChIKeyZRJZJWLSQLOTIH-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.53
Rot. Bonds2

About 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane (PubChem CID 22292468) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane
PubChem CID22292468
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane
SMILESCOCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F11O/c1-20-2-3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h2H2,1H3
InChIKeyZRJZJWLSQLOTIH-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane (CID 22292468) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane is COCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane?
The InChIKey is ZRJZJWLSQLOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c1-20-2-3(9)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h2H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane has a molecular weight of 326.11 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane is sourced from PubChem (CID 22292468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).