1-fluoro-2-iodo-3-methylsulfanylbenzene

C7H6FIS — CID 91881041

IUPAC1-fluoro-2-iodo-3-methylsulfanylbenzene
SMILESCSc1cccc(F)c1I
InChIInChI=1S/C7H6FIS/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKeyOBHPMHPBPPYZCG-UHFFFAOYSA-N
MW268.09 g/mol
LogP3.15
Rot. Bonds1

About 1-fluoro-2-iodo-3-methylsulfanylbenzene

1-fluoro-2-iodo-3-methylsulfanylbenzene (PubChem CID 91881041) has the molecular formula C7H6FIS and a molecular weight of 268.09 g/mol. Its IUPAC name is 1-fluoro-2-iodo-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-2-iodo-3-methylsulfanylbenzene
PubChem CID91881041
Molecular FormulaC7H6FIS
Molecular Weight268.09 g/mol
Exact Mass267.92
IUPAC Name1-fluoro-2-iodo-3-methylsulfanylbenzene
SMILESCSc1cccc(F)c1I
InChIInChI=1S/C7H6FIS/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKeyOBHPMHPBPPYZCG-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 53.15
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

2-iodo-1-methyl-3-methylsulfanylbenzene
CID 91881115
1-bromo-2-iodo-3-methylsulfanylbenzene
CID 91881110
1-fluoro-2,3-diiodobenzene
CID 10958978
ethane;1-fluoro-2-methylsulfanylbenzene
CID 143031250
2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine
CID 117288826
2-iodo-6-methylsulfanylbenzonitrile
CID 90127102
1,3-diiodo-2-methylsulfanylbenzene
CID 91881136
azane;2-methyl-1,3-bis(methylsulfanyl)benzene
CID 18755719
1-fluoro-3-(2-fluorophenyl)-2-iodobenzene
CID 46313915
sodium 2-fluoro-6-methylsulfanylbenzenesulfonate
CID 23708592
1-fluoro-3,4-diiodo-2-methylsulfanylbenzene
CID 131011058
1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117324173

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-iodo-3-methylsulfanylbenzene?
The IUPAC name of 1-fluoro-2-iodo-3-methylsulfanylbenzene (CID 91881041) is 1-fluoro-2-iodo-3-methylsulfanylbenzene.
What is the SMILES notation for 1-fluoro-2-iodo-3-methylsulfanylbenzene?
The canonical SMILES for 1-fluoro-2-iodo-3-methylsulfanylbenzene is CSc1cccc(F)c1I.
What is the InChIKey of 1-fluoro-2-iodo-3-methylsulfanylbenzene?
The InChIKey is OBHPMHPBPPYZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIS/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3.
What are the key properties of 1-fluoro-2-iodo-3-methylsulfanylbenzene?
1-fluoro-2-iodo-3-methylsulfanylbenzene has a molecular weight of 268.09 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-iodo-3-methylsulfanylbenzene is sourced from PubChem (CID 91881041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).