1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone

C9H6Br2F2O — CID 171010271

IUPAC1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(F)F)c(Br)c1Br
InChIInChI=1S/C9H6Br2F2O/c1-4(14)5-2-3-6(9(12)13)8(11)7(5)10/h2-3,9H,1H3
InChIKeyDZNLHJGPLTUQBC-UHFFFAOYSA-N
MW327.95 g/mol
LogP4.35
Rot. Bonds2

About 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone

1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone (PubChem CID 171010271) has the molecular formula C9H6Br2F2O and a molecular weight of 327.95 g/mol. Its IUPAC name is 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone
PubChem CID171010271
Molecular FormulaC9H6Br2F2O
Molecular Weight327.95 g/mol
Exact Mass325.88
IUPAC Name1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(F)F)c(Br)c1Br
InChIInChI=1S/C9H6Br2F2O/c1-4(14)5-2-3-6(9(12)13)8(11)7(5)10/h2-3,9H,1H3
InChIKeyDZNLHJGPLTUQBC-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.95
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-amino-3-bromo-4-(difluoromethyl)phenyl]ethanone
CID 171026864
1-[2-bromo-3-(difluoromethyl)-4-(trifluoromethyl)phenyl]ethanone
CID 171000631
1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171032948
1-[3-bromo-2-(difluoromethyl)-4-iodophenyl]ethanone
CID 171000142
1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone
CID 131332582
1-[5-bromo-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573374
1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone
CID 171001079
1-[3-bromo-6-(difluoromethyl)-2-fluorophenyl]ethanone
CID 131278161
1-[4-bromo-2-(difluoromethyl)-5-methylphenyl]ethanone
CID 131328103
1-(2-bromo-4-fluoro-3-hydroxyphenyl)ethanone
CID 118995933
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
1-[2-bromo-4-(difluoromethyl)-5-iodophenyl]ethanone
CID 131547407

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone (CID 171010271) is 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone is CC(=O)c1ccc(C(F)F)c(Br)c1Br.
What is the InChIKey of 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone?
The InChIKey is DZNLHJGPLTUQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2F2O/c1-4(14)5-2-3-6(9(12)13)8(11)7(5)10/h2-3,9H,1H3.
What are the key properties of 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone?
1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone has a molecular weight of 327.95 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171010271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).