1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone

C9H7BrClFO — CID 131292332

IUPAC1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
SMILESCc1cc(C(=O)CCl)c(F)cc1Br
InChIInChI=1S/C9H7BrClFO/c1-5-2-6(9(13)4-11)8(12)3-7(5)10/h2-3H,4H2,1H3
InChIKeyYDHDOEHSHABFGU-UHFFFAOYSA-N
MW265.51 g/mol
LogP3.32
Rot. Bonds2

About 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone

1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone (PubChem CID 131292332) has the molecular formula C9H7BrClFO and a molecular weight of 265.51 g/mol. Its IUPAC name is 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
PubChem CID131292332
Molecular FormulaC9H7BrClFO
Molecular Weight265.51 g/mol
Exact Mass263.94
IUPAC Name1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
SMILESCc1cc(C(=O)CCl)c(F)cc1Br
InChIInChI=1S/C9H7BrClFO/c1-5-2-6(9(13)4-11)8(12)3-7(5)10/h2-3H,4H2,1H3
InChIKeyYDHDOEHSHABFGU-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 53.32
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

1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone
CID 131118712
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
1-(2-bromo-4-chloro-5-methylphenyl)-2-chloroethanone
CID 83988426
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
5-(2-chloroacetyl)-4-fluoro-2-methylbenzonitrile
CID 171010953
2-amino-1-(4-bromo-2-fluoro-5-methylphenyl)propan-1-one
CID 84806363
2-bromo-4-fluoro-5-methylbenzoyl chloride
CID 171033249
1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane
CID 142097721
1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone
CID 171018097
1-(4-amino-2-bromo-5-fluorophenyl)-2-chloroethanone
CID 171016614
1-(2-amino-5-bromo-4-fluorophenyl)-2-chloroethanone
CID 167472486
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone?
The IUPAC name of 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone (CID 131292332) is 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone.
What is the SMILES notation for 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone?
The canonical SMILES for 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone is Cc1cc(C(=O)CCl)c(F)cc1Br.
What is the InChIKey of 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone?
The InChIKey is YDHDOEHSHABFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO/c1-5-2-6(9(13)4-11)8(12)3-7(5)10/h2-3H,4H2,1H3.
What are the key properties of 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone?
1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone has a molecular weight of 265.51 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone is sourced from PubChem (CID 131292332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).