2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone

C8H4BrClFIO — CID 171004382

IUPAC2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone
SMILESO=C(CBr)c1cc(F)c(I)cc1Cl
InChIInChI=1S/C8H4BrClFIO/c9-3-8(13)4-1-6(11)7(12)2-5(4)10/h1-2H,3H2
InChIKeyVUZKHFWXRVSDQH-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.66
Rot. Bonds2

About 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone

2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone (PubChem CID 171004382) has the molecular formula C8H4BrClFIO and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone
PubChem CID171004382
Molecular FormulaC8H4BrClFIO
Molecular Weight377.38 g/mol
Exact Mass375.82
IUPAC Name2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone
SMILESO=C(CBr)c1cc(F)c(I)cc1Cl
InChIInChI=1S/C8H4BrClFIO/c9-3-8(13)4-1-6(11)7(12)2-5(4)10/h1-2H,3H2
InChIKeyVUZKHFWXRVSDQH-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-chloro-5-fluorophenyl)-2-bromoethanone
CID 171021855
2-(2-bromoacetyl)-5-fluoro-4-iodobenzonitrile
CID 171021895
1-(4-amino-2,5-dichlorophenyl)-2-bromoethanone
CID 171013966
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
2-bromo-1-(5-chloro-4-iodo-2-methylphenyl)ethanone
CID 171004733
2-bromo-1-[4-chloro-5-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171030119
2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
CID 2783183
1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone
CID 171021726
2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone
CID 131349738
3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoic acid
CID 67781401
2-bromo-1-(2-chloro-4,6-difluorophenyl)ethanone
CID 131094732
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 107475730

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone (CID 171004382) is 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone is O=C(CBr)c1cc(F)c(I)cc1Cl.
What is the InChIKey of 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone?
The InChIKey is VUZKHFWXRVSDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClFIO/c9-3-8(13)4-1-6(11)7(12)2-5(4)10/h1-2H,3H2.
What are the key properties of 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone?
2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone has a molecular weight of 377.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-chloro-5-fluoro-4-iodophenyl)ethanone is sourced from PubChem (CID 171004382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).