[2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol

C13H12FNOS — CID 12517596

IUPAC[2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol
SMILESNc1ccc(Sc2ccccc2CO)c(F)c1
InChIInChI=1S/C13H12FNOS/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7,16H,8,15H2
InChIKeyZSHFZBAGUMRIGJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.05
Rot. Bonds3

About [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol

[2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol (PubChem CID 12517596) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol
PubChem CID12517596
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name[2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol
SMILESNc1ccc(Sc2ccccc2CO)c(F)c1
InChIInChI=1S/C13H12FNOS/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7,16H,8,15H2
InChIKeyZSHFZBAGUMRIGJ-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol?
The IUPAC name of [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol (CID 12517596) is [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol?
The canonical SMILES for [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol is Nc1ccc(Sc2ccccc2CO)c(F)c1.
What is the InChIKey of [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol?
The InChIKey is ZSHFZBAGUMRIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7,16H,8,15H2.
What are the key properties of [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol?
[2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol has a molecular weight of 249.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-2-fluorophenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 12517596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).