1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane

C9H5F11O — CID 118898630

IUPAC1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
SMILESC=COCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H5F11O/c1-2-21-3-4(10)5(11,12)7(15,16)9(19,20)8(17,18)6(4,13)14/h2H,1,3H2
InChIKeyKUXYSWYZLXQLGJ-UHFFFAOYSA-N
MW338.12 g/mol
LogP4.04
Rot. Bonds3

About 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane

1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane (PubChem CID 118898630) has the molecular formula C9H5F11O and a molecular weight of 338.12 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
PubChem CID118898630
Molecular FormulaC9H5F11O
Molecular Weight338.12 g/mol
Exact Mass338.02
IUPAC Name1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
SMILESC=COCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H5F11O/c1-2-21-3-4(10)5(11,12)7(15,16)9(19,20)8(17,18)6(4,13)14/h2H,1,3H2
InChIKeyKUXYSWYZLXQLGJ-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane (CID 118898630) is 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane is C=COCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
The InChIKey is KUXYSWYZLXQLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F11O/c1-2-21-3-4(10)5(11,12)7(15,16)9(19,20)8(17,18)6(4,13)14/h2H,1,3H2.
What are the key properties of 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane has a molecular weight of 338.12 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane is sourced from PubChem (CID 118898630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).