1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol

C15H13F3OS — CID 114931542

IUPAC1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(F)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H13F3OS/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
InChIKeyPSZGIRXMLFSEBH-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.80
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol

1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 114931542) has the molecular formula C15H13F3OS and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
PubChem CID114931542
Molecular FormulaC15H13F3OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC Name1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(F)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H13F3OS/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
InChIKeyPSZGIRXMLFSEBH-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546
1-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143959
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 114932196
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 66070761
1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931519
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894
1-(4-fluorophenyl)sulfanylheptan-2-ol
CID 66070965
1-(4-fluorophenyl)sulfanylhex-4-yn-2-ol
CID 66071996

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (CID 114931542) is 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is OC(CSc1ccc(F)cc1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is PSZGIRXMLFSEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3OS/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-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 298.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 114931542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).