1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene

C13H10FIS — CID 65491729

IUPAC1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene
SMILESFc1ccccc1SCc1ccc(I)cc1
InChIInChI=1S/C13H10FIS/c14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10/h1-8H,9H2
InChIKeyFOHCEMPBNMXFER-UHFFFAOYSA-N
MW344.19 g/mol
LogP4.72
Rot. Bonds3

About 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene

1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene (PubChem CID 65491729) has the molecular formula C13H10FIS and a molecular weight of 344.19 g/mol. Its IUPAC name is 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene
PubChem CID65491729
Molecular FormulaC13H10FIS
Molecular Weight344.19 g/mol
Exact Mass343.95
IUPAC Name1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene
SMILESFc1ccccc1SCc1ccc(I)cc1
InChIInChI=1S/C13H10FIS/c14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10/h1-8H,9H2
InChIKeyFOHCEMPBNMXFER-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 54.72
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-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352338
2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
CID 103758746
4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine
CID 66316422
2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine
CID 62046668
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]aniline
CID 64767853
1-bromo-4-[(2-fluorophenyl)sulfanylmethyl]-2-nitrobenzene
CID 113335380
2-[(4-iodophenyl)methylsulfanyl]pyrimidine
CID 65490348
5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55044942
4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 80550431
4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885602
5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene?
The IUPAC name of 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene (CID 65491729) is 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene?
The canonical SMILES for 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene is Fc1ccccc1SCc1ccc(I)cc1.
What is the InChIKey of 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene?
The InChIKey is FOHCEMPBNMXFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIS/c14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10/h1-8H,9H2.
What are the key properties of 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene?
1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene has a molecular weight of 344.19 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene is sourced from PubChem (CID 65491729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).