1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone

C8H4BrClFIO — CID 131620004

IUPAC1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone
SMILESO=C(CCl)c1cc(Br)cc(F)c1I
InChIInChI=1S/C8H4BrClFIO/c9-4-1-5(7(13)3-10)8(12)6(11)2-4/h1-2H,3H2
InChIKeyMBYWAYRHOMLPDK-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.61
Rot. Bonds2

About 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone

1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone (PubChem CID 131620004) has the molecular formula C8H4BrClFIO and a molecular weight of 377.38 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone
PubChem CID131620004
Molecular FormulaC8H4BrClFIO
Molecular Weight377.38 g/mol
Exact Mass375.82
IUPAC Name1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone
SMILESO=C(CCl)c1cc(Br)cc(F)c1I
InChIInChI=1S/C8H4BrClFIO/c9-4-1-5(7(13)3-10)8(12)6(11)2-4/h1-2H,3H2
InChIKeyMBYWAYRHOMLPDK-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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-(5-bromo-2-iodo-3-methylphenyl)-2-chloroethanone
CID 171033536
1-(5-bromo-3-iodo-2-methylphenyl)-2-chloroethanone
CID 171033538
1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130777818
2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone
CID 171009449
1-(5-bromo-2-fluoro-3-nitrophenyl)-2-chloroethanone
CID 131626004
1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243
2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone
CID 171004829
1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone
CID 131118712
1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
CID 131292332
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-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone?
The IUPAC name of 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone (CID 131620004) is 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone is O=C(CCl)c1cc(Br)cc(F)c1I.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone?
The InChIKey is MBYWAYRHOMLPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClFIO/c9-4-1-5(7(13)3-10)8(12)6(11)2-4/h1-2H,3H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone?
1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone has a molecular weight of 377.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone is sourced from PubChem (CID 131620004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).