6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one

C14H12F2O — CID 165436455

IUPAC6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC=CC(C)(c2cccc(F)c2F)C1=O
InChIInChI=1S/C14H12F2O/c1-9-5-4-8-14(2,13(9)17)10-6-3-7-11(15)12(10)16/h3-8H,1-2H3
InChIKeyBTPADEPQMUZQRV-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.31
Rot. Bonds1

About 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one

6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 165436455) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one
PubChem CID165436455
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC=CC(C)(c2cccc(F)c2F)C1=O
InChIInChI=1S/C14H12F2O/c1-9-5-4-8-14(2,13(9)17)10-6-3-7-11(15)12(10)16/h3-8H,1-2H3
InChIKeyBTPADEPQMUZQRV-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-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

Related Compounds

Benzophenone
CID 3102
Acetophenone
CID 7410
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
p-METHYLACETOPHENONE
CID 8500
Phenyl-1,4-benzoquinone
CID 9688
Diphenylcyclopropenone
CID 65057
2-Methylacetophenone
CID 11340
Butyrophenone
CID 10315
Valerophenone
CID 66093
4,4'-Difluorobenzophenone
CID 9582
4-Isopropylacetophenone
CID 12578

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one (CID 165436455) is 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one is CC1=CC=CC(C)(c2cccc(F)c2F)C1=O.
What is the InChIKey of 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is BTPADEPQMUZQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c1-9-5-4-8-14(2,13(9)17)10-6-3-7-11(15)12(10)16/h3-8H,1-2H3.
What are the key properties of 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one?
6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 234.25 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-2,6-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 165436455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).