1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol

C15H13F3OS — CID 82823028

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol
SMILESCc1ccc(F)c(C(O)CSc2ccccc2F)c1F
InChIInChI=1S/C15H13F3OS/c1-9-6-7-11(17)14(15(9)18)12(19)8-20-13-5-3-2-4-10(13)16/h2-7,12,19H,8H2,1H3
InChIKeyWJCRFCFJTWYQIE-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.24
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol

1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol (PubChem CID 82823028) has the molecular formula C15H13F3OS and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol
PubChem CID82823028
Molecular FormulaC15H13F3OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol
SMILESCc1ccc(F)c(C(O)CSc2ccccc2F)c1F
InChIInChI=1S/C15H13F3OS/c1-9-6-7-11(17)14(15(9)18)12(19)8-20-13-5-3-2-4-10(13)16/h2-7,12,19H,8H2,1H3
InChIKeyWJCRFCFJTWYQIE-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 82815536
1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66052290
1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82822306
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 112560931
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60981157
1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66051325
1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol
CID 115789411
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
2-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82815992

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol (CID 82823028) is 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol is Cc1ccc(F)c(C(O)CSc2ccccc2F)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol?
The InChIKey is WJCRFCFJTWYQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3OS/c1-9-6-7-11(17)14(15(9)18)12(19)8-20-13-5-3-2-4-10(13)16/h2-7,12,19H,8H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol?
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol has a molecular weight of 298.33 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 82823028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).