1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene

C9H8FIO2S — CID 132600252

IUPAC1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene
SMILESCS(=O)(=O)/C(=C\I)c1ccc(F)cc1
InChIInChI=1S/C9H8FIO2S/c1-14(12,13)9(6-11)7-2-4-8(10)5-3-7/h2-6H,1H3/b9-6-
InChIKeyWHXFXZDJFLLODJ-TWGQIWQCSA-N
MW326.13 g/mol
LogP2.60
Rot. Bonds2

About 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene

1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene (PubChem CID 132600252) has the molecular formula C9H8FIO2S and a molecular weight of 326.13 g/mol. Its IUPAC name is 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene
PubChem CID132600252
Molecular FormulaC9H8FIO2S
Molecular Weight326.13 g/mol
Exact Mass325.93
IUPAC Name1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene
SMILESCS(=O)(=O)/C(=C\I)c1ccc(F)cc1
InChIInChI=1S/C9H8FIO2S/c1-14(12,13)9(6-11)7-2-4-8(10)5-3-7/h2-6H,1H3/b9-6-
InChIKeyWHXFXZDJFLLODJ-TWGQIWQCSA-N
XLogP2.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene
CID 132524385
(Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one
CID 173173870
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 51072855
4-(4-fluorobenzoyl)benzenesulfonic acid
CID 139945300
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
chloromethane;4-fluorobenzamide
CID 158476805
1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone
CID 64638082
N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide
CID 2245502
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene?
The IUPAC name of 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene (CID 132600252) is 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene is CS(=O)(=O)/C(=C\I)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene?
The InChIKey is WHXFXZDJFLLODJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H8FIO2S/c1-14(12,13)9(6-11)7-2-4-8(10)5-3-7/h2-6H,1H3/b9-6-.
What are the key properties of 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene?
1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene has a molecular weight of 326.13 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene is sourced from PubChem (CID 132600252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).