2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane

C17H14ClF3OS — CID 118432529

IUPAC2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane
SMILESFC(F)(F)c1cccc(SC2COC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H14ClF3OS/c18-13-6-4-11(5-7-13)16-9-15(10-22-16)23-14-3-1-2-12(8-14)17(19,20)21/h1-8,15-16H,9-10H2
InChIKeyWXZHQPKDZFAHJN-UHFFFAOYSA-N
MW358.81 g/mol
LogP5.98
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane

2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane (PubChem CID 118432529) has the molecular formula C17H14ClF3OS and a molecular weight of 358.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane
PubChem CID118432529
Molecular FormulaC17H14ClF3OS
Molecular Weight358.81 g/mol
Exact Mass358.04
IUPAC Name2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane
SMILESFC(F)(F)c1cccc(SC2COC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H14ClF3OS/c18-13-6-4-11(5-7-13)16-9-15(10-22-16)23-14-3-1-2-12(8-14)17(19,20)21/h1-8,15-16H,9-10H2
InChIKeyWXZHQPKDZFAHJN-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.81
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane 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-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane?
The IUPAC name of 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane (CID 118432529) is 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane?
The canonical SMILES for 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane is FC(F)(F)c1cccc(SC2COC(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane?
The InChIKey is WXZHQPKDZFAHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3OS/c18-13-6-4-11(5-7-13)16-9-15(10-22-16)23-14-3-1-2-12(8-14)17(19,20)21/h1-8,15-16H,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane?
2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane has a molecular weight of 358.81 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfanyloxolane is sourced from PubChem (CID 118432529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).