1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone

C10H9ClF2O2 — CID 171006385

IUPAC1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
SMILESCC(=O)c1c(C)ccc(OC(F)F)c1Cl
InChIInChI=1S/C10H9ClF2O2/c1-5-3-4-7(15-10(12)13)9(11)8(5)6(2)14/h3-4,10H,1-2H3
InChIKeyBAYVBEWPTHTHDC-UHFFFAOYSA-N
MW234.63 g/mol
LogP3.45
Rot. Bonds3

About 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone

1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone (PubChem CID 171006385) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
PubChem CID171006385
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
SMILESCC(=O)c1c(C)ccc(OC(F)F)c1Cl
InChIInChI=1S/C10H9ClF2O2/c1-5-3-4-7(15-10(12)13)9(11)8(5)6(2)14/h3-4,10H,1-2H3
InChIKeyBAYVBEWPTHTHDC-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-3-(difluoromethoxy)-6-nitrophenyl]ethanone
CID 171006554
3-acetyl-2-chloro-4-(difluoromethoxy)benzonitrile
CID 171001218
1-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131586320
1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone
CID 131586322
1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 131379036
1-[2-chloro-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006355
1-[2-(difluoromethoxy)-6-iodo-3-methylphenyl]ethanone
CID 131616291
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
1-[3-(difluoromethoxy)-6-fluoro-2-iodophenyl]ethanone
CID 131575535
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131281136
1-[6-bromo-3-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131597792

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone?
The IUPAC name of 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone (CID 171006385) is 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone?
The canonical SMILES for 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone is CC(=O)c1c(C)ccc(OC(F)F)c1Cl.
What is the InChIKey of 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone?
The InChIKey is BAYVBEWPTHTHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c1-5-3-4-7(15-10(12)13)9(11)8(5)6(2)14/h3-4,10H,1-2H3.
What are the key properties of 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone?
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone has a molecular weight of 234.63 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone is sourced from PubChem (CID 171006385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).