3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one

C9H10F2O2 — CID 174542292

IUPAC3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one
SMILESCCC1C=CC(OC(F)F)=CC1=O
InChIInChI=1S/C9H10F2O2/c1-2-6-3-4-7(5-8(6)12)13-9(10)11/h3-6,9H,2H2,1H3
InChIKeyWLFAODDHTUOMDK-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.27
Rot. Bonds3

About 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one

3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one (PubChem CID 174542292) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one
PubChem CID174542292
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one
SMILESCCC1C=CC(OC(F)F)=CC1=O
InChIInChI=1S/C9H10F2O2/c1-2-6-3-4-7(5-8(6)12)13-9(10)11/h3-6,9H,2H2,1H3
InChIKeyWLFAODDHTUOMDK-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one (CID 174542292) is 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one is CCC1C=CC(OC(F)F)=CC1=O.
What is the InChIKey of 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one?
The InChIKey is WLFAODDHTUOMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-2-6-3-4-7(5-8(6)12)13-9(10)11/h3-6,9H,2H2,1H3.
What are the key properties of 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one?
3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one has a molecular weight of 188.17 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-ethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 174542292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).