trifluoromethylsulfanylmethylbenzene

C8H7F3S — CID 3782775

IUPACtrifluoromethylsulfanylmethylbenzene
SMILESFC(F)(F)SCc1ccccc1
InChIInChI=1S/C8H7F3S/c9-8(10,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyOUYBCTGEJCWZHL-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.44
Rot. Bonds2

About trifluoromethylsulfanylmethylbenzene

trifluoromethylsulfanylmethylbenzene (PubChem CID 3782775) has the molecular formula C8H7F3S and a molecular weight of 192.21 g/mol. Its IUPAC name is trifluoromethylsulfanylmethylbenzene.

Molecular Properties

Compound Nametrifluoromethylsulfanylmethylbenzene
PubChem CID3782775
Molecular FormulaC8H7F3S
Molecular Weight192.21 g/mol
Exact Mass192.02
IUPAC Nametrifluoromethylsulfanylmethylbenzene
SMILESFC(F)(F)SCc1ccccc1
InChIInChI=1S/C8H7F3S/c9-8(10,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyOUYBCTGEJCWZHL-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze trifluoromethylsulfanylmethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfanylmethylbenzene?
The IUPAC name of trifluoromethylsulfanylmethylbenzene (CID 3782775) is trifluoromethylsulfanylmethylbenzene.
What is the SMILES notation for trifluoromethylsulfanylmethylbenzene?
The canonical SMILES for trifluoromethylsulfanylmethylbenzene is FC(F)(F)SCc1ccccc1.
What is the InChIKey of trifluoromethylsulfanylmethylbenzene?
The InChIKey is OUYBCTGEJCWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3S/c9-8(10,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of trifluoromethylsulfanylmethylbenzene?
trifluoromethylsulfanylmethylbenzene has a molecular weight of 192.21 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfanylmethylbenzene is sourced from PubChem (CID 3782775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).