1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone

C9H6Cl2F2O2 — CID 121228158

IUPAC1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1c(Cl)cc(OC(F)F)cc1Cl
InChIInChI=1S/C9H6Cl2F2O2/c1-4(14)8-6(10)2-5(3-7(8)11)15-9(12)13/h2-3,9H,1H3
InChIKeyXRYSYFGJNBQDNQ-UHFFFAOYSA-N
MW255.05 g/mol
LogP3.80
Rot. Bonds3

About 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone

1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone (PubChem CID 121228158) has the molecular formula C9H6Cl2F2O2 and a molecular weight of 255.05 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
PubChem CID121228158
Molecular FormulaC9H6Cl2F2O2
Molecular Weight255.05 g/mol
Exact Mass253.97
IUPAC Name1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1c(Cl)cc(OC(F)F)cc1Cl
InChIInChI=1S/C9H6Cl2F2O2/c1-4(14)8-6(10)2-5(3-7(8)11)15-9(12)13/h2-3,9H,1H3
InChIKeyXRYSYFGJNBQDNQ-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
1-[4-amino-2-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131333497
2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene
CID 171032891
1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone
CID 131586322
1-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131586320
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006356
1-[2-chloro-4-(difluoromethyl)-6-methylphenyl]ethanone
CID 171005887
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
1-[3-bromo-5-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 131599898
ethyl 2-[2-chloro-4-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171005078
[3-chloro-5-(difluoromethoxy)phenyl] carbamate
CID 174190375

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone (CID 121228158) is 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone is CC(=O)c1c(Cl)cc(OC(F)F)cc1Cl.
What is the InChIKey of 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone?
The InChIKey is XRYSYFGJNBQDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2O2/c1-4(14)8-6(10)2-5(3-7(8)11)15-9(12)13/h2-3,9H,1H3.
What are the key properties of 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone?
1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone has a molecular weight of 255.05 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 121228158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).