2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone

C14H9BrFIO — CID 114968001

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Br)c1cccc(I)c1
InChIInChI=1S/C14H9BrFIO/c15-13-8-11(16)5-4-9(13)7-14(18)10-2-1-3-12(17)6-10/h1-6,8H,7H2
InChIKeyMCUYFGYBDDNCGS-UHFFFAOYSA-N
MW419.03 g/mol
LogP4.62
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone

2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone (PubChem CID 114968001) has the molecular formula C14H9BrFIO and a molecular weight of 419.03 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone
PubChem CID114968001
Molecular FormulaC14H9BrFIO
Molecular Weight419.03 g/mol
Exact Mass417.89
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Br)c1cccc(I)c1
InChIInChI=1S/C14H9BrFIO/c15-13-8-11(16)5-4-9(13)7-14(18)10-2-1-3-12(17)6-10/h1-6,8H,7H2
InChIKeyMCUYFGYBDDNCGS-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

2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
CID 63411397
2-(4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 24723952
2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 62620275
1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone
CID 116577619
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol
CID 115786724
1-(3-iodophenyl)-2-phenylethanone
CID 24723883
2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone
CID 114967386
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968030
(4-fluorophenyl)-(3-iodophenyl)methanone
CID 24722824
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105089542
(2,5-difluorophenyl)-(3-iodophenyl)methanone
CID 43159823

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone (CID 114968001) is 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone is O=C(Cc1ccc(F)cc1Br)c1cccc(I)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone?
The InChIKey is MCUYFGYBDDNCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFIO/c15-13-8-11(16)5-4-9(13)7-14(18)10-2-1-3-12(17)6-10/h1-6,8H,7H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone?
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)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 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone is sourced from PubChem (CID 114968001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).