1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone

C11H16F2O2 — CID 162598789

IUPAC1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CCC(C)C(C)(OC(F)F)C1
InChIInChI=1S/C11H16F2O2/c1-7-4-5-9(8(2)14)6-11(7,3)15-10(12)13/h5,7,10H,4,6H2,1-3H3
InChIKeyIQCSOXFPHXMRAL-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.93
Rot. Bonds3

About 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone

1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone (PubChem CID 162598789) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone
PubChem CID162598789
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CCC(C)C(C)(OC(F)F)C1
InChIInChI=1S/C11H16F2O2/c1-7-4-5-9(8(2)14)6-11(7,3)15-10(12)13/h5,7,10H,4,6H2,1-3H3
InChIKeyIQCSOXFPHXMRAL-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone?
The IUPAC name of 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone (CID 162598789) is 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone is CC(=O)C1=CCC(C)C(C)(OC(F)F)C1.
What is the InChIKey of 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone?
The InChIKey is IQCSOXFPHXMRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O2/c1-7-4-5-9(8(2)14)6-11(7,3)15-10(12)13/h5,7,10H,4,6H2,1-3H3.
What are the key properties of 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone?
1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone has a molecular weight of 218.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-4,5-dimethylcyclohexen-1-yl]ethanone is sourced from PubChem (CID 162598789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).