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

C9H6BrClF2O2 — CID 131586322

IUPAC1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1c(Cl)ccc(OC(F)F)c1Br
InChIInChI=1S/C9H6BrClF2O2/c1-4(14)7-5(11)2-3-6(8(7)10)15-9(12)13/h2-3,9H,1H3
InChIKeyPAAQIMQZEZDWOD-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.91
Rot. Bonds3

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

1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone (PubChem CID 131586322) has the molecular formula C9H6BrClF2O2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone
PubChem CID131586322
Molecular FormulaC9H6BrClF2O2
Molecular Weight299.50 g/mol
Exact Mass297.92
IUPAC Name1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1c(Cl)ccc(OC(F)F)c1Br
InChIInChI=1S/C9H6BrClF2O2/c1-4(14)7-5(11)2-3-6(8(7)10)15-9(12)13/h2-3,9H,1H3
InChIKeyPAAQIMQZEZDWOD-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131586320
1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171032948
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid
CID 171000608
3-acetyl-2-chloro-4-(difluoromethoxy)benzonitrile
CID 171001218
1-[6-bromo-3-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131597792
1-[2-chloro-3-(difluoromethoxy)-6-nitrophenyl]ethanone
CID 171006554
methyl 2-(bromomethyl)-6-chloro-3-(difluoromethoxy)benzoate
CID 171012622
1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131587225
1-[4-amino-2-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131333497
1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
CID 121228158

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone (CID 131586322) is 1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone is CC(=O)c1c(Cl)ccc(OC(F)F)c1Br.
What is the InChIKey of 1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone?
The InChIKey is PAAQIMQZEZDWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF2O2/c1-4(14)7-5(11)2-3-6(8(7)10)15-9(12)13/h2-3,9H,1H3.
What are the key properties of 1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone?
1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone has a molecular weight of 299.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 131586322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).