2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone

C16H14FIO — CID 114029336

IUPAC2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc(F)cc2I)c1
InChIInChI=1S/C16H14FIO/c1-10-3-4-11(2)12(7-10)8-16(19)14-6-5-13(17)9-15(14)18/h3-7,9H,8H2,1-2H3
InChIKeyRBVUBJYEYBVVGN-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.47
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone

2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone (PubChem CID 114029336) has the molecular formula C16H14FIO and a molecular weight of 368.19 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone
PubChem CID114029336
Molecular FormulaC16H14FIO
Molecular Weight368.19 g/mol
Exact Mass368.01
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc(F)cc2I)c1
InChIInChI=1S/C16H14FIO/c1-10-3-4-11(2)12(7-10)8-16(19)14-6-5-13(17)9-15(14)18/h3-7,9H,8H2,1-2H3
InChIKeyRBVUBJYEYBVVGN-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.47
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-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 114029871
2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone
CID 106876875
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726367
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029999
N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768890
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone (CID 114029336) is 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone is Cc1ccc(C)c(CC(=O)c2ccc(F)cc2I)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone?
The InChIKey is RBVUBJYEYBVVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIO/c1-10-3-4-11(2)12(7-10)8-16(19)14-6-5-13(17)9-15(14)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone?
2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone has a molecular weight of 368.19 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone is sourced from PubChem (CID 114029336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).