4-(4-amino-3-fluorophenyl)sulfanylphenol

C12H10FNOS — CID 91879712

IUPAC4-(4-amino-3-fluorophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(O)cc2)cc1F
InChIInChI=1S/C12H10FNOS/c13-11-7-10(5-6-12(11)14)16-9-3-1-8(15)2-4-9/h1-7,15H,14H2
InChIKeyCKNGHMNFEJUBOO-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.26
Rot. Bonds2

About 4-(4-amino-3-fluorophenyl)sulfanylphenol

4-(4-amino-3-fluorophenyl)sulfanylphenol (PubChem CID 91879712) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenyl)sulfanylphenol
PubChem CID91879712
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name4-(4-amino-3-fluorophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(O)cc2)cc1F
InChIInChI=1S/C12H10FNOS/c13-11-7-10(5-6-12(11)14)16-9-3-1-8(15)2-4-9/h1-7,15H,14H2
InChIKeyCKNGHMNFEJUBOO-UHFFFAOYSA-N
XLogP3.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.26
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 4-(4-amino-3-fluorophenyl)sulfanylphenol?
The IUPAC name of 4-(4-amino-3-fluorophenyl)sulfanylphenol (CID 91879712) is 4-(4-amino-3-fluorophenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-amino-3-fluorophenyl)sulfanylphenol?
The canonical SMILES for 4-(4-amino-3-fluorophenyl)sulfanylphenol is Nc1ccc(Sc2ccc(O)cc2)cc1F.
What is the InChIKey of 4-(4-amino-3-fluorophenyl)sulfanylphenol?
The InChIKey is CKNGHMNFEJUBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c13-11-7-10(5-6-12(11)14)16-9-3-1-8(15)2-4-9/h1-7,15H,14H2.
What are the key properties of 4-(4-amino-3-fluorophenyl)sulfanylphenol?
4-(4-amino-3-fluorophenyl)sulfanylphenol has a molecular weight of 235.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenyl)sulfanylphenol is sourced from PubChem (CID 91879712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).