1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol

C15H13ClF2OS — CID 114931546

IUPAC1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H13ClF2OS/c16-10-4-6-12(7-5-10)20-9-11(19)8-13-14(17)2-1-3-15(13)18/h1-7,11,19H,8-9H2
InChIKeyOZQXHLSREITQGM-UHFFFAOYSA-N
MW314.78 g/mol
LogP4.31
Rot. Bonds5

About 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol

1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol (PubChem CID 114931546) has the molecular formula C15H13ClF2OS and a molecular weight of 314.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
PubChem CID114931546
Molecular FormulaC15H13ClF2OS
Molecular Weight314.78 g/mol
Exact Mass314.03
IUPAC Name1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H13ClF2OS/c16-10-4-6-12(7-5-10)20-9-11(19)8-13-14(17)2-1-3-15(13)18/h1-7,11,19H,8-9H2
InChIKeyOZQXHLSREITQGM-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143959
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 114931542
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
1-(2-amino-3-pyridinyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143183
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66052488
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 114932196

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol (CID 114931546) is 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol is OC(CSc1ccc(Cl)cc1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol?
The InChIKey is OZQXHLSREITQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2OS/c16-10-4-6-12(7-5-10)20-9-11(19)8-13-14(17)2-1-3-15(13)18/h1-7,11,19H,8-9H2.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol?
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol has a molecular weight of 314.78 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol is sourced from PubChem (CID 114931546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).