1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone

C11H11ClF2O2 — CID 171002747

IUPAC1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
SMILESCCOc1ccc(Cl)c(C(C)=O)c1C(F)F
InChIInChI=1S/C11H11ClF2O2/c1-3-16-8-5-4-7(12)9(6(2)15)10(8)11(13)14/h4-5,11H,3H2,1-2H3
InChIKeyZQZOBTFLNZGQFA-UHFFFAOYSA-N
MW248.66 g/mol
LogP3.88
Rot. Bonds4

About 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone

1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone (PubChem CID 171002747) has the molecular formula C11H11ClF2O2 and a molecular weight of 248.66 g/mol. Its IUPAC name is 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
PubChem CID171002747
Molecular FormulaC11H11ClF2O2
Molecular Weight248.66 g/mol
Exact Mass248.04
IUPAC Name1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
SMILESCCOc1ccc(Cl)c(C(C)=O)c1C(F)F
InChIInChI=1S/C11H11ClF2O2/c1-3-16-8-5-4-7(12)9(6(2)15)10(8)11(13)14/h4-5,11H,3H2,1-2H3
InChIKeyZQZOBTFLNZGQFA-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone 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

1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone
CID 170996692
1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 171009683
1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone
CID 171001079
3-acetyl-4-chloro-2-(difluoromethyl)benzonitrile
CID 171001262
2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid
CID 18444833
1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone
CID 131586322
1-[3-bromo-4-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001122
1-[4-acetyl-1-(3-chloro-4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 69275411
3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide
CID 174825754
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
1-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131586320

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone?
The IUPAC name of 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone (CID 171002747) is 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone.
What is the SMILES notation for 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone?
The canonical SMILES for 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone is CCOc1ccc(Cl)c(C(C)=O)c1C(F)F.
What is the InChIKey of 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone?
The InChIKey is ZQZOBTFLNZGQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O2/c1-3-16-8-5-4-7(12)9(6(2)15)10(8)11(13)14/h4-5,11H,3H2,1-2H3.
What are the key properties of 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone?
1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone has a molecular weight of 248.66 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone is sourced from PubChem (CID 171002747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).