2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one

C9H6Br2F2O — CID 130136876

IUPAC2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one
SMILESO=C(c1ccc(F)cc1F)C(Br)CBr
InChIInChI=1S/C9H6Br2F2O/c10-4-7(11)9(14)6-2-1-5(12)3-8(6)13/h1-3,7H,4H2
InChIKeyDICOBNUDFYNVID-UHFFFAOYSA-N
MW327.95 g/mol
LogP3.31
Rot. Bonds3

About 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one

2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one (PubChem CID 130136876) has the molecular formula C9H6Br2F2O and a molecular weight of 327.95 g/mol. Its IUPAC name is 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one
PubChem CID130136876
Molecular FormulaC9H6Br2F2O
Molecular Weight327.95 g/mol
Exact Mass325.88
IUPAC Name2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one
SMILESO=C(c1ccc(F)cc1F)C(Br)CBr
InChIInChI=1S/C9H6Br2F2O/c10-4-7(11)9(14)6-2-1-5(12)3-8(6)13/h1-3,7H,4H2
InChIKeyDICOBNUDFYNVID-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.95
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dibromo-1-(4-bromo-2-fluorophenyl)propan-1-one
CID 130137047
2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 130136778
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2,4-difluorobenzoyl bromide
CID 87349807
2,3-dibromo-1-(3,5-difluorophenyl)propan-1-one
CID 130757472
2-(2,4-difluorobenzoyl)propanedioic acid
CID 19379743
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
2-(2,4-difluorobenzoyl)propanedioate
CID 19379742
2-chloro-1-(2,4-difluorophenyl)butan-1-one
CID 130136877
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
2-amino-3-(2,4-difluorophenyl)-3-oxopropanoic acid
CID 18700465

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one?
The IUPAC name of 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one (CID 130136876) is 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one?
The canonical SMILES for 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one is O=C(c1ccc(F)cc1F)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one?
The InChIKey is DICOBNUDFYNVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2F2O/c10-4-7(11)9(14)6-2-1-5(12)3-8(6)13/h1-3,7H,4H2.
What are the key properties of 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one?
2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one has a molecular weight of 327.95 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 130136876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).