2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene

C20H15F3S — CID 54240427

IUPAC2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene
SMILESCc1c(-c2ccccc2)ccc(SC(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C20H15F3S/c1-14-17(15-8-4-2-5-9-15)12-13-18(24-20(21,22)23)19(14)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyRHGZGPSLBYWHBP-UHFFFAOYSA-N
MW344.40 g/mol
LogP6.94
Rot. Bonds3

About 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene

2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene (PubChem CID 54240427) has the molecular formula C20H15F3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene
PubChem CID54240427
Molecular FormulaC20H15F3S
Molecular Weight344.40 g/mol
Exact Mass344.08
IUPAC Name2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene
SMILESCc1c(-c2ccccc2)ccc(SC(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C20H15F3S/c1-14-17(15-8-4-2-5-9-15)12-13-18(24-20(21,22)23)19(14)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyRHGZGPSLBYWHBP-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.40
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene (CID 54240427) is 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene is Cc1c(-c2ccccc2)ccc(SC(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is RHGZGPSLBYWHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3S/c1-14-17(15-8-4-2-5-9-15)12-13-18(24-20(21,22)23)19(14)16-10-6-3-7-11-16/h2-13H,1H3.
What are the key properties of 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene?
2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 344.40 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-diphenyl-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 54240427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).