2,2,2-trifluoroethylsulfanylbenzene

C8H7F3S — CID 11469578

IUPAC2,2,2-trifluoroethylsulfanylbenzene
SMILESFC(F)(F)CSc1ccccc1
InChIInChI=1S/C8H7F3S/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRIDGXQZZOXMNLI-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.34
Rot. Bonds2

About 2,2,2-trifluoroethylsulfanylbenzene

2,2,2-trifluoroethylsulfanylbenzene (PubChem CID 11469578) has the molecular formula C8H7F3S and a molecular weight of 192.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethylsulfanylbenzene.

Molecular Properties

Compound Name2,2,2-trifluoroethylsulfanylbenzene
PubChem CID11469578
Molecular FormulaC8H7F3S
Molecular Weight192.21 g/mol
Exact Mass192.02
IUPAC Name2,2,2-trifluoroethylsulfanylbenzene
SMILESFC(F)(F)CSc1ccccc1
InChIInChI=1S/C8H7F3S/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRIDGXQZZOXMNLI-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoroethylsulfanylbenzene 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 2,2,2-trifluoroethylsulfanylbenzene?
The IUPAC name of 2,2,2-trifluoroethylsulfanylbenzene (CID 11469578) is 2,2,2-trifluoroethylsulfanylbenzene.
What is the SMILES notation for 2,2,2-trifluoroethylsulfanylbenzene?
The canonical SMILES for 2,2,2-trifluoroethylsulfanylbenzene is FC(F)(F)CSc1ccccc1.
What is the InChIKey of 2,2,2-trifluoroethylsulfanylbenzene?
The InChIKey is RIDGXQZZOXMNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3S/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2,2,2-trifluoroethylsulfanylbenzene?
2,2,2-trifluoroethylsulfanylbenzene has a molecular weight of 192.21 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethylsulfanylbenzene is sourced from PubChem (CID 11469578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).