2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane

C19H17F3S — CID 162410252

IUPAC2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane
SMILESFC(F)(F)c1ccc(/C(=C/C2CCCS2)c2ccccc2)cc1
InChIInChI=1S/C19H17F3S/c20-19(21,22)16-10-8-15(9-11-16)18(13-17-7-4-12-23-17)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,17H,4,7,12H2/b18-13+
InChIKeyGJKQXCOUGUOEOH-QGOAFFKASA-N
MW334.41 g/mol
LogP6.03
Rot. Bonds3

About 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane

2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane (PubChem CID 162410252) has the molecular formula C19H17F3S and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane.

Molecular Properties

Compound Name2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane
PubChem CID162410252
Molecular FormulaC19H17F3S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC Name2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane
SMILESFC(F)(F)c1ccc(/C(=C/C2CCCS2)c2ccccc2)cc1
InChIInChI=1S/C19H17F3S/c20-19(21,22)16-10-8-15(9-11-16)18(13-17-7-4-12-23-17)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,17H,4,7,12H2/b18-13+
InChIKeyGJKQXCOUGUOEOH-QGOAFFKASA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.41
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane 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-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane?
The IUPAC name of 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane (CID 162410252) is 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane.
What is the SMILES notation for 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane?
The canonical SMILES for 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane is FC(F)(F)c1ccc(/C(=C/C2CCCS2)c2ccccc2)cc1.
What is the InChIKey of 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane?
The InChIKey is GJKQXCOUGUOEOH-QGOAFFKASA-N. The full InChI is InChI=1S/C19H17F3S/c20-19(21,22)16-10-8-15(9-11-16)18(13-17-7-4-12-23-17)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,17H,4,7,12H2/b18-13+.
What are the key properties of 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane?
2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane has a molecular weight of 334.41 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]thiolane is sourced from PubChem (CID 162410252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).