2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene

C13H9ClF2S — CID 16681304

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClF2S/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7H,8H2
InChIKeyIGFFKYIHTJTKBF-UHFFFAOYSA-N
MW270.73 g/mol
LogP4.91
Rot. Bonds3

About 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene

2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene (PubChem CID 16681304) has the molecular formula C13H9ClF2S and a molecular weight of 270.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene
PubChem CID16681304
Molecular FormulaC13H9ClF2S
Molecular Weight270.73 g/mol
Exact Mass270.01
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClF2S/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7H,8H2
InChIKeyIGFFKYIHTJTKBF-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene (CID 16681304) is 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene is Fc1ccc(F)c(CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene?
The InChIKey is IGFFKYIHTJTKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2S/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7H,8H2.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene?
2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene has a molecular weight of 270.73 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-1,4-difluorobenzene is sourced from PubChem (CID 16681304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).