1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone

C15H12FIO — CID 114974192

IUPAC1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc(I)cc2)c1
InChIInChI=1S/C15H12FIO/c1-10-2-7-14(16)13(8-10)15(18)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyLEHHAIHWMPPFKI-UHFFFAOYSA-N
MW354.16 g/mol
LogP4.16
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone

1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone (PubChem CID 114974192) has the molecular formula C15H12FIO and a molecular weight of 354.16 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
PubChem CID114974192
Molecular FormulaC15H12FIO
Molecular Weight354.16 g/mol
Exact Mass353.99
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc(I)cc2)c1
InChIInChI=1S/C15H12FIO/c1-10-2-7-14(16)13(8-10)15(18)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyLEHHAIHWMPPFKI-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 54.16
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-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
CID 65477472
1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
CID 65478906
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 62802575
2-(2-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 62516230
1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 115604643
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
CID 103301488
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone (CID 114974192) is 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone is Cc1ccc(F)c(C(=O)Cc2ccc(I)cc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone?
The InChIKey is LEHHAIHWMPPFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIO/c1-10-2-7-14(16)13(8-10)15(18)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone?
1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone has a molecular weight of 354.16 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone is sourced from PubChem (CID 114974192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).