1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone

C10H9ClF2O2 — CID 171002234

IUPAC1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)c(Cl)c(C(F)F)c1
InChIInChI=1S/C10H9ClF2O2/c1-5(14)7-3-6(15-2)4-8(9(7)11)10(12)13/h3-4,10H,1-2H3
InChIKeyPCWOTMDKMHRICR-UHFFFAOYSA-N
MW234.63 g/mol
LogP3.49
Rot. Bonds3

About 1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone

1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone (PubChem CID 171002234) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone
PubChem CID171002234
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)c(Cl)c(C(F)F)c1
InChIInChI=1S/C10H9ClF2O2/c1-5(14)7-3-6(15-2)4-8(9(7)11)10(12)13/h3-4,10H,1-2H3
InChIKeyPCWOTMDKMHRICR-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007175
1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 119022399
2-chloro-5-methoxy-3-methylbenzoyl chloride
CID 171008342
1-[5-bromo-3-(difluoromethyl)-2-methoxyphenyl]ethanone
CID 131568665
1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007258
1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
CID 171006158
1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793
1-[3-bromo-4-chloro-5-(difluoromethyl)phenyl]ethanone
CID 171001234
1-[3-hydroxy-5-methoxy-2-(methylamino)phenyl]ethanone
CID 166935705
1-[5-chloro-3-(difluoromethyl)-2-iodophenyl]ethanone
CID 171009758
2-acetyl-6-(difluoromethyl)-4-ethoxybenzonitrile
CID 171030907
1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84796758

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone (CID 171002234) is 1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone is COc1cc(C(C)=O)c(Cl)c(C(F)F)c1.
What is the InChIKey of 1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone?
The InChIKey is PCWOTMDKMHRICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c1-5(14)7-3-6(15-2)4-8(9(7)11)10(12)13/h3-4,10H,1-2H3.
What are the key properties of 1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone?
1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone has a molecular weight of 234.63 g/mol, XLogP of 3.49, 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-(difluoromethyl)-5-methoxyphenyl]ethanone is sourced from PubChem (CID 171002234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).