1-fluoro-4-phenylsulfanylbenzene

C12H9FS — CID 11458368

IUPAC1-fluoro-4-phenylsulfanylbenzene
SMILESFc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H9FS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKeyGAIVWUFOYSDTHX-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.98
Rot. Bonds2

About 1-fluoro-4-phenylsulfanylbenzene

1-fluoro-4-phenylsulfanylbenzene (PubChem CID 11458368) has the molecular formula C12H9FS and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-fluoro-4-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-4-phenylsulfanylbenzene
PubChem CID11458368
Molecular FormulaC12H9FS
Molecular Weight204.27 g/mol
Exact Mass204.04
IUPAC Name1-fluoro-4-phenylsulfanylbenzene
SMILESFc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H9FS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKeyGAIVWUFOYSDTHX-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-phenylsulfanylbenzene?
The IUPAC name of 1-fluoro-4-phenylsulfanylbenzene (CID 11458368) is 1-fluoro-4-phenylsulfanylbenzene.
What is the SMILES notation for 1-fluoro-4-phenylsulfanylbenzene?
The canonical SMILES for 1-fluoro-4-phenylsulfanylbenzene is Fc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-phenylsulfanylbenzene?
The InChIKey is GAIVWUFOYSDTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-fluoro-4-phenylsulfanylbenzene?
1-fluoro-4-phenylsulfanylbenzene has a molecular weight of 204.27 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-phenylsulfanylbenzene is sourced from PubChem (CID 11458368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).