4-(2,4-difluorophenyl)sulfanylphenol

C12H8F2OS — CID 177164297

IUPAC4-(2,4-difluorophenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(F)cc2F)cc1
InChIInChI=1S/C12H8F2OS/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H
InChIKeyAYUAEAYFQAVKLL-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.82
Rot. Bonds2

About 4-(2,4-difluorophenyl)sulfanylphenol

4-(2,4-difluorophenyl)sulfanylphenol (PubChem CID 177164297) has the molecular formula C12H8F2OS and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanylphenol
PubChem CID177164297
Molecular FormulaC12H8F2OS
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name4-(2,4-difluorophenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(F)cc2F)cc1
InChIInChI=1S/C12H8F2OS/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H
InChIKeyAYUAEAYFQAVKLL-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-amino-2-fluorophenyl)sulfanylphenol
CID 91879702
4-(2-fluorophenyl)sulfanylphenol
CID 91875605
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
4-(4-fluoro-2-nitrophenyl)sulfanylphenol
CID 54910892
4-(3-fluorophenyl)sulfanylphenol
CID 91875611
1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine
CID 63819664
4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol
CID 66808566
3-amino-4-(4-hydroxyphenyl)sulfanylphenol
CID 67040301
2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
CID 60726032
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
(1R)-1-[5-(2,4-difluorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123417
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanylphenol?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanylphenol (CID 177164297) is 4-(2,4-difluorophenyl)sulfanylphenol.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanylphenol?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanylphenol is Oc1ccc(Sc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanylphenol?
The InChIKey is AYUAEAYFQAVKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2OS/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H.
What are the key properties of 4-(2,4-difluorophenyl)sulfanylphenol?
4-(2,4-difluorophenyl)sulfanylphenol has a molecular weight of 238.26 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanylphenol is sourced from PubChem (CID 177164297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).