[3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite

C18H12F2OS — CID 155000851

IUPAC[3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite
SMILESOc1ccc(-c2ccccc2)cc1-c1c(F)cccc1SF
InChIInChI=1S/C18H12F2OS/c19-15-7-4-8-17(22-20)18(15)14-11-13(9-10-16(14)21)12-5-2-1-3-6-12/h1-11,21H
InChIKeyIRTBIKGMCCWMJA-UHFFFAOYSA-N
MW314.36 g/mol
LogP5.84
Rot. Bonds3

About [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite

[3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite (PubChem CID 155000851) has the molecular formula C18H12F2OS and a molecular weight of 314.36 g/mol. Its IUPAC name is [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite.

Molecular Properties

Compound Name[3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite
PubChem CID155000851
Molecular FormulaC18H12F2OS
Molecular Weight314.36 g/mol
Exact Mass314.06
IUPAC Name[3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite
SMILESOc1ccc(-c2ccccc2)cc1-c1c(F)cccc1SF
InChIInChI=1S/C18H12F2OS/c19-15-7-4-8-17(22-20)18(15)14-11-13(9-10-16(14)21)12-5-2-1-3-6-12/h1-11,21H
InChIKeyIRTBIKGMCCWMJA-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.36
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite?
The IUPAC name of [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite (CID 155000851) is [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite.
What is the SMILES notation for [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite?
The canonical SMILES for [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite is Oc1ccc(-c2ccccc2)cc1-c1c(F)cccc1SF.
What is the InChIKey of [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite?
The InChIKey is IRTBIKGMCCWMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2OS/c19-15-7-4-8-17(22-20)18(15)14-11-13(9-10-16(14)21)12-5-2-1-3-6-12/h1-11,21H.
What are the key properties of [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite?
[3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite has a molecular weight of 314.36 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(2-hydroxy-5-phenylphenyl)phenyl] thiohypofluorite is sourced from PubChem (CID 155000851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).