1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone

C14H8BrF2IO — CID 114026781

IUPAC1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1F)c1cc(I)ccc1Br
InChIInChI=1S/C14H8BrF2IO/c15-12-3-2-10(18)7-11(12)14(19)6-8-5-9(16)1-4-13(8)17/h1-5,7H,6H2
InChIKeyPAKIEIIEBZLELO-UHFFFAOYSA-N
MW437.02 g/mol
LogP4.76
Rot. Bonds3

About 1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone

1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone (PubChem CID 114026781) has the molecular formula C14H8BrF2IO and a molecular weight of 437.02 g/mol. Its IUPAC name is 1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone
PubChem CID114026781
Molecular FormulaC14H8BrF2IO
Molecular Weight437.02 g/mol
Exact Mass435.88
IUPAC Name1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1F)c1cc(I)ccc1Br
InChIInChI=1S/C14H8BrF2IO/c15-12-3-2-10(18)7-11(12)14(19)6-8-5-9(16)1-4-13(8)17/h1-5,7H,6H2
InChIKeyPAKIEIIEBZLELO-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.02
LogP ≤ 54.76
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-fluorophenyl)ethanone
CID 114026768
1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114964013
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
2-[(2,5-difluorophenyl)methoxy]-5-iodobenzoic acid
CID 115281933
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114964088
1-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274265
1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 62828462
1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
CID 65478906

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone (CID 114026781) is 1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone is O=C(Cc1cc(F)ccc1F)c1cc(I)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone?
The InChIKey is PAKIEIIEBZLELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2IO/c15-12-3-2-10(18)7-11(12)14(19)6-8-5-9(16)1-4-13(8)17/h1-5,7H,6H2.
What are the key properties of 1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone?
1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone has a molecular weight of 437.02 g/mol, XLogP of 4.76, 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-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 114026781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).