1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol

C20H15Cl2FOS — CID 2767153

IUPAC1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol
SMILESOC(CSc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2FOS/c21-16-5-1-14(2-6-16)20(24,15-3-7-17(22)8-4-15)13-25-19-11-9-18(23)10-12-19/h1-12,24H,13H2
InChIKeyLYMJSMXFFQXLNZ-UHFFFAOYSA-N
MW393.31 g/mol
LogP6.16
Rot. Bonds5

About 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol

1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol (PubChem CID 2767153) has the molecular formula C20H15Cl2FOS and a molecular weight of 393.31 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol
PubChem CID2767153
Molecular FormulaC20H15Cl2FOS
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC Name1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol
SMILESOC(CSc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2FOS/c21-16-5-1-14(2-6-16)20(24,15-3-7-17(22)8-4-15)13-25-19-11-9-18(23)10-12-19/h1-12,24H,13H2
InChIKeyLYMJSMXFFQXLNZ-UHFFFAOYSA-N
XLogP6.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol 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 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol (CID 2767153) is 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol is OC(CSc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
The InChIKey is LYMJSMXFFQXLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FOS/c21-16-5-1-14(2-6-16)20(24,15-3-7-17(22)8-4-15)13-25-19-11-9-18(23)10-12-19/h1-12,24H,13H2.
What are the key properties of 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol has a molecular weight of 393.31 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 2767153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).