1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene

C14H12F2S — CID 163198061

IUPAC1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene
SMILESCSc1c(F)cc(-c2ccc(C)cc2)cc1F
InChIInChI=1S/C14H12F2S/c1-9-3-5-10(6-4-9)11-7-12(15)14(17-2)13(16)8-11/h3-8H,1-2H3
InChIKeyGLIPYOZNAQMBPH-UHFFFAOYSA-N
MW250.31 g/mol
LogP4.66
Rot. Bonds2

About 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene

1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene (PubChem CID 163198061) has the molecular formula C14H12F2S and a molecular weight of 250.31 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene
PubChem CID163198061
Molecular FormulaC14H12F2S
Molecular Weight250.31 g/mol
Exact Mass250.06
IUPAC Name1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene
SMILESCSc1c(F)cc(-c2ccc(C)cc2)cc1F
InChIInChI=1S/C14H12F2S/c1-9-3-5-10(6-4-9)11-7-12(15)14(17-2)13(16)8-11/h3-8H,1-2H3
InChIKeyGLIPYOZNAQMBPH-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene?
The IUPAC name of 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene (CID 163198061) is 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene.
What is the SMILES notation for 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene?
The canonical SMILES for 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene is CSc1c(F)cc(-c2ccc(C)cc2)cc1F.
What is the InChIKey of 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene?
The InChIKey is GLIPYOZNAQMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2S/c1-9-3-5-10(6-4-9)11-7-12(15)14(17-2)13(16)8-11/h3-8H,1-2H3.
What are the key properties of 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene?
1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene has a molecular weight of 250.31 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene is sourced from PubChem (CID 163198061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).