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

C14H12ClFOS — CID 60724072

IUPAC1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol
SMILESOC(CSc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFOS/c15-11-3-1-10(2-4-11)14(17)9-18-13-7-5-12(16)6-8-13/h1-8,14,17H,9H2
InChIKeyWHTFVGOIXNTOBL-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.30
Rot. Bonds4

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

1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol (PubChem CID 60724072) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol
PubChem CID60724072
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol
SMILESOC(CSc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFOS/c15-11-3-1-10(2-4-11)14(17)9-18-13-7-5-12(16)6-8-13/h1-8,14,17H,9H2
InChIKeyWHTFVGOIXNTOBL-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol (CID 60724072) is 1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol is OC(CSc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
The InChIKey is WHTFVGOIXNTOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c15-11-3-1-10(2-4-11)14(17)9-18-13-7-5-12(16)6-8-13/h1-8,14,17H,9H2.
What are the key properties of 1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol has a molecular weight of 282.77 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 60724072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).