1-chloro-4-(3-fluorophenyl)sulfanylbenzene

C12H8ClFS — CID 102295239

IUPAC1-chloro-4-(3-fluorophenyl)sulfanylbenzene
SMILESFc1cccc(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8ClFS/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
InChIKeyCXEFFJFMYNMUAU-UHFFFAOYSA-N
MW238.71 g/mol
LogP4.63
Rot. Bonds2

About 1-chloro-4-(3-fluorophenyl)sulfanylbenzene

1-chloro-4-(3-fluorophenyl)sulfanylbenzene (PubChem CID 102295239) has the molecular formula C12H8ClFS and a molecular weight of 238.71 g/mol. Its IUPAC name is 1-chloro-4-(3-fluorophenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-(3-fluorophenyl)sulfanylbenzene
PubChem CID102295239
Molecular FormulaC12H8ClFS
Molecular Weight238.71 g/mol
Exact Mass238.00
IUPAC Name1-chloro-4-(3-fluorophenyl)sulfanylbenzene
SMILESFc1cccc(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8ClFS/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
InChIKeyCXEFFJFMYNMUAU-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-fluorophenyl)sulfanylbenzene?
The IUPAC name of 1-chloro-4-(3-fluorophenyl)sulfanylbenzene (CID 102295239) is 1-chloro-4-(3-fluorophenyl)sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-(3-fluorophenyl)sulfanylbenzene?
The canonical SMILES for 1-chloro-4-(3-fluorophenyl)sulfanylbenzene is Fc1cccc(Sc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-chloro-4-(3-fluorophenyl)sulfanylbenzene?
The InChIKey is CXEFFJFMYNMUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFS/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H.
What are the key properties of 1-chloro-4-(3-fluorophenyl)sulfanylbenzene?
1-chloro-4-(3-fluorophenyl)sulfanylbenzene has a molecular weight of 238.71 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-fluorophenyl)sulfanylbenzene is sourced from PubChem (CID 102295239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).