2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol

C20H15ClF2OS — CID 2767141

IUPAC2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol
SMILESOC(CSc1ccc(Cl)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H15ClF2OS/c21-16-5-11-19(12-6-16)25-13-20(24,14-1-7-17(22)8-2-14)15-3-9-18(23)10-4-15/h1-12,24H,13H2
InChIKeyFHRQODMPLYIPIO-UHFFFAOYSA-N
MW376.86 g/mol
LogP5.65
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol

2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol (PubChem CID 2767141) has the molecular formula C20H15ClF2OS and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol
PubChem CID2767141
Molecular FormulaC20H15ClF2OS
Molecular Weight376.86 g/mol
Exact Mass376.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol
SMILESOC(CSc1ccc(Cl)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H15ClF2OS/c21-16-5-11-19(12-6-16)25-13-20(24,14-1-7-17(22)8-2-14)15-3-9-18(23)10-4-15/h1-12,24H,13H2
InChIKeyFHRQODMPLYIPIO-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.86
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol (CID 2767141) is 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol is OC(CSc1ccc(Cl)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol?
The InChIKey is FHRQODMPLYIPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2OS/c21-16-5-11-19(12-6-16)25-13-20(24,14-1-7-17(22)8-2-14)15-3-9-18(23)10-4-15/h1-12,24H,13H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol?
2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol has a molecular weight of 376.86 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1,1-bis(4-fluorophenyl)ethanol is sourced from PubChem (CID 2767141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).