1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone

C10H9ClF2O2 — CID 171006356

IUPAC1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone
SMILESCC(=O)c1cc(Cl)c(C)c(OC(F)F)c1
InChIInChI=1S/C10H9ClF2O2/c1-5-8(11)3-7(6(2)14)4-9(5)15-10(12)13/h3-4,10H,1-2H3
InChIKeyHXRSHVMQLCYDFV-UHFFFAOYSA-N
MW234.63 g/mol
LogP3.45
Rot. Bonds3

About 1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone

1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone (PubChem CID 171006356) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone
PubChem CID171006356
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone
SMILESCC(=O)c1cc(Cl)c(C)c(OC(F)F)c1
InChIInChI=1S/C10H9ClF2O2/c1-5-8(11)3-7(6(2)14)4-9(5)15-10(12)13/h3-4,10H,1-2H3
InChIKeyHXRSHVMQLCYDFV-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-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
CID 171031742
1-[3-(difluoromethoxy)-4-fluoro-5-methylphenyl]ethanone
CID 131616126
1-[3-chloro-5-(difluoromethyl)-4-methylphenyl]ethanone
CID 171005721
4-acetyl-2-(difluoromethoxy)-6-methylbenzaldehyde
CID 171032070
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
methyl 3,4-dichloro-5-(difluoromethoxy)benzoate
CID 121228221
ethyl 4-bromo-3-chloro-5-(difluoromethoxy)benzoate
CID 171006694
5-acetyl-2-amino-3-(difluoromethoxy)benzonitrile
CID 171028297
1-[3-(difluoromethoxy)-5-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 171032155
1-[2-amino-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131333493
1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
CID 171006158

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone?
The IUPAC name of 1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone (CID 171006356) is 1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone is CC(=O)c1cc(Cl)c(C)c(OC(F)F)c1.
What is the InChIKey of 1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone?
The InChIKey is HXRSHVMQLCYDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c1-5-8(11)3-7(6(2)14)4-9(5)15-10(12)13/h3-4,10H,1-2H3.
What are the key properties of 1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone?
1-[3-chloro-5-(difluoromethoxy)-4-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-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone is sourced from PubChem (CID 171006356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).