1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone

C9H6Br2F2O2 — CID 131291755

IUPAC1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)cc(Br)c1OC(F)F
InChIInChI=1S/C9H6Br2F2O2/c1-4(14)6-2-5(10)3-7(11)8(6)15-9(12)13/h2-3,9H,1H3
InChIKeyQTQJUBOKCYCHMB-UHFFFAOYSA-N
MW343.95 g/mol
LogP4.02
Rot. Bonds3

About 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone

1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone (PubChem CID 131291755) has the molecular formula C9H6Br2F2O2 and a molecular weight of 343.95 g/mol. Its IUPAC name is 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone
PubChem CID131291755
Molecular FormulaC9H6Br2F2O2
Molecular Weight343.95 g/mol
Exact Mass341.87
IUPAC Name1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)cc(Br)c1OC(F)F
InChIInChI=1S/C9H6Br2F2O2/c1-4(14)6-2-5(10)3-7(11)8(6)15-9(12)13/h2-3,9H,1H3
InChIKeyQTQJUBOKCYCHMB-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.95
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(difluoromethoxy)-3-iodophenyl]ethanone
CID 131597785
ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate
CID 134632750
1-(5-bromo-3-fluoro-2-propan-2-yloxyphenyl)ethanone
CID 83904296
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
1-[3,5-dibromo-2-(difluoromethyl)phenyl]ethanone
CID 171010149
1-[5-bromo-3-(difluoromethyl)-2-methoxyphenyl]ethanone
CID 131568665
3-bromo-2-(difluoromethoxy)-5-propan-2-ylbenzoic acid
CID 146035402
1-[5-bromo-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131597786
1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 131290897
1-[3-bromo-5-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 131599898
1-[3-bromo-5-(difluoromethyl)-2-methoxyphenyl]ethanone
CID 131569733
3-acetyl-6-bromo-2-(difluoromethoxy)benzonitrile
CID 171000692

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone (CID 131291755) is 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone is CC(=O)c1cc(Br)cc(Br)c1OC(F)F.
What is the InChIKey of 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone?
The InChIKey is QTQJUBOKCYCHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2F2O2/c1-4(14)6-2-5(10)3-7(11)8(6)15-9(12)13/h2-3,9H,1H3.
What are the key properties of 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone?
1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone has a molecular weight of 343.95 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 131291755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).