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

C10H9F11O2 — CID 126571289

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane
SMILESCOC(C)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F11O2/c1-4(22-2)23-3-5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h4H,3H2,1-2H3
InChIKeyGYECKAIZIPKBJU-UHFFFAOYSA-N
MW370.16 g/mol
LogP3.89
Rot. Bonds4

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

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane (PubChem CID 126571289) has the molecular formula C10H9F11O2 and a molecular weight of 370.16 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane
PubChem CID126571289
Molecular FormulaC10H9F11O2
Molecular Weight370.16 g/mol
Exact Mass370.04
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane
SMILESCOC(C)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F11O2/c1-4(22-2)23-3-5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h4H,3H2,1-2H3
InChIKeyGYECKAIZIPKBJU-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.16
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-(1-methoxyethoxymethyl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane (CID 126571289) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane is COC(C)OCC1(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-(1-methoxyethoxymethyl)cyclohexane?
The InChIKey is GYECKAIZIPKBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F11O2/c1-4(22-2)23-3-5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h4H,3H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane has a molecular weight of 370.16 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 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-(1-methoxyethoxymethyl)cyclohexane is sourced from PubChem (CID 126571289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).