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

C9H8FIO — CID 171022798

IUPAC1-(5-fluoro-4-iodo-2-methylphenyl)ethanone
SMILESCC(=O)c1cc(F)c(I)cc1C
InChIInChI=1S/C9H8FIO/c1-5-3-9(11)8(10)4-7(5)6(2)12/h3-4H,1-2H3
InChIKeyDSEQQOANJCOLDY-UHFFFAOYSA-N
MW278.06 g/mol
LogP2.94
Rot. Bonds1

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

1-(5-fluoro-4-iodo-2-methylphenyl)ethanone (PubChem CID 171022798) has the molecular formula C9H8FIO and a molecular weight of 278.06 g/mol. Its IUPAC name is 1-(5-fluoro-4-iodo-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-4-iodo-2-methylphenyl)ethanone
PubChem CID171022798
Molecular FormulaC9H8FIO
Molecular Weight278.06 g/mol
Exact Mass277.96
IUPAC Name1-(5-fluoro-4-iodo-2-methylphenyl)ethanone
SMILESCC(=O)c1cc(F)c(I)cc1C
InChIInChI=1S/C9H8FIO/c1-5-3-9(11)8(10)4-7(5)6(2)12/h3-4H,1-2H3
InChIKeyDSEQQOANJCOLDY-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 52.94
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-fluoro-4-iodo-5-methylphenyl)ethanone
CID 171022676
1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone
CID 117278348
1-(5-bromo-2-iodo-4-methylphenyl)ethanone
CID 131429614
1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone
CID 775594
1-(3,4,5-trifluoro-2-methylphenyl)ethanone
CID 20552321
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
1-(5-hydroxy-2,4-dimethylphenyl)ethanone
CID 119014480
1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone
CID 144835745
1-(2-hydroxy-4-iodo-5-methylphenyl)ethanone
CID 58207836
1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
CID 131310764
1-[2-fluoro-5-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 131350923
1-(2-fluoro-3-iodo-4-methylphenyl)ethanone
CID 171022516

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-iodo-2-methylphenyl)ethanone?
The IUPAC name of 1-(5-fluoro-4-iodo-2-methylphenyl)ethanone (CID 171022798) is 1-(5-fluoro-4-iodo-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-4-iodo-2-methylphenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-4-iodo-2-methylphenyl)ethanone is CC(=O)c1cc(F)c(I)cc1C.
What is the InChIKey of 1-(5-fluoro-4-iodo-2-methylphenyl)ethanone?
The InChIKey is DSEQQOANJCOLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIO/c1-5-3-9(11)8(10)4-7(5)6(2)12/h3-4H,1-2H3.
What are the key properties of 1-(5-fluoro-4-iodo-2-methylphenyl)ethanone?
1-(5-fluoro-4-iodo-2-methylphenyl)ethanone has a molecular weight of 278.06 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-iodo-2-methylphenyl)ethanone is sourced from PubChem (CID 171022798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).