1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone

C14H9BrFIO — CID 114026768

IUPAC1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)c1cc(I)ccc1Br
InChIInChI=1S/C14H9BrFIO/c15-12-6-5-10(17)8-11(12)14(18)7-9-3-1-2-4-13(9)16/h1-6,8H,7H2
InChIKeyLQELQAVSGLYUBO-UHFFFAOYSA-N
MW419.03 g/mol
LogP4.62
Rot. Bonds3

About 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone

1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone (PubChem CID 114026768) has the molecular formula C14H9BrFIO and a molecular weight of 419.03 g/mol. Its IUPAC name is 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone
PubChem CID114026768
Molecular FormulaC14H9BrFIO
Molecular Weight419.03 g/mol
Exact Mass417.89
IUPAC Name1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)c1cc(I)ccc1Br
InChIInChI=1S/C14H9BrFIO/c15-12-6-5-10(17)8-11(12)14(18)7-9-3-1-2-4-13(9)16/h1-6,8H,7H2
InChIKeyLQELQAVSGLYUBO-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.03
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone
CID 114026781
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone
CID 81473471
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
1-(5-fluoro-2-hydroxyphenyl)-2-(2-fluorophenyl)ethanone
CID 53234531
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954
1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
CID 116560408
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114964013

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone (CID 114026768) is 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)c1cc(I)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone?
The InChIKey is LQELQAVSGLYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFIO/c15-12-6-5-10(17)8-11(12)14(18)7-9-3-1-2-4-13(9)16/h1-6,8H,7H2.
What are the key properties of 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone?
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone has a molecular weight of 419.03 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 114026768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).