2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one

C9H6Br2ClFO — CID 130136778

IUPAC2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one
SMILESO=C(c1cc(F)ccc1Cl)C(Br)CBr
InChIInChI=1S/C9H6Br2ClFO/c10-4-7(11)9(14)6-3-5(13)1-2-8(6)12/h1-3,7H,4H2
InChIKeyVKLIJPPAZDYNHJ-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.82
Rot. Bonds3

About 2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one

2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one (PubChem CID 130136778) has the molecular formula C9H6Br2ClFO and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one
PubChem CID130136778
Molecular FormulaC9H6Br2ClFO
Molecular Weight344.41 g/mol
Exact Mass341.85
IUPAC Name2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one
SMILESO=C(c1cc(F)ccc1Cl)C(Br)CBr
InChIInChI=1S/C9H6Br2ClFO/c10-4-7(11)9(14)6-3-5(13)1-2-8(6)12/h1-3,7H,4H2
InChIKeyVKLIJPPAZDYNHJ-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.82
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-(2,4-difluorophenyl)propan-1-one
CID 130136876
2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
CID 130136731
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
2,3-dibromo-1-(4-bromo-2-fluorophenyl)propan-1-one
CID 130137047
2,3-dibromo-1-(3,5-difluorophenyl)propan-1-one
CID 130757472
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one
CID 82124582
3-bromo-4-(2-chloro-4,5-difluorophenyl)-4-oxobutanoic acid
CID 107475874
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
CID 114029059

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one?
The IUPAC name of 2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one (CID 130136778) is 2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one.
What is the SMILES notation for 2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one?
The canonical SMILES for 2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one is O=C(c1cc(F)ccc1Cl)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one?
The InChIKey is VKLIJPPAZDYNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2ClFO/c10-4-7(11)9(14)6-3-5(13)1-2-8(6)12/h1-3,7H,4H2.
What are the key properties of 2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one?
2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one has a molecular weight of 344.41 g/mol, XLogP of 3.82, 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-chloro-5-fluorophenyl)propan-1-one is sourced from PubChem (CID 130136778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).