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

C15H13F3OS — CID 66071849

IUPAC1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(F)c1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H13F3OS/c16-11-2-1-3-14(7-11)20-9-13(19)6-10-4-5-12(17)8-15(10)18/h1-5,7-8,13,19H,6,9H2
InChIKeyOGVRJEKDXCYREC-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.80
Rot. Bonds5

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

1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66071849) has the molecular formula C15H13F3OS and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66071849
Molecular FormulaC15H13F3OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC Name1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(F)c1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H13F3OS/c16-11-2-1-3-14(7-11)20-9-13(19)6-10-4-5-12(17)8-15(10)18/h1-5,7-8,13,19H,6,9H2
InChIKeyOGVRJEKDXCYREC-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-(3-bromophenyl)sulfanyl-3-(4-chloro-2-fluorophenyl)propan-2-ol
CID 114854776
1-(3-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-ol
CID 83175265
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
CID 65142299
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070196
1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070207
1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 79566382
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 114931542
1-(2,3-dichlorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 107308144

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol (CID 66071849) is 1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol is OC(CSc1cccc(F)c1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is OGVRJEKDXCYREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3OS/c16-11-2-1-3-14(7-11)20-9-13(19)6-10-4-5-12(17)8-15(10)18/h1-5,7-8,13,19H,6,9H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
1-(2,4-difluorophenyl)-3-(3-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-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66071849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).