6-amino-2-(4-fluorophenyl)thiochromen-4-one

C15H10FNOS — CID 121366050

IUPAC6-amino-2-(4-fluorophenyl)thiochromen-4-one
SMILESNc1ccc2sc(-c3ccc(F)cc3)cc(=O)c2c1
InChIInChI=1S/C15H10FNOS/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,17H2
InChIKeySLFKLLSFUYIPQE-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.65
Rot. Bonds1

About 6-amino-2-(4-fluorophenyl)thiochromen-4-one

6-amino-2-(4-fluorophenyl)thiochromen-4-one (PubChem CID 121366050) has the molecular formula C15H10FNOS and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-amino-2-(4-fluorophenyl)thiochromen-4-one.

Molecular Properties

Compound Name6-amino-2-(4-fluorophenyl)thiochromen-4-one
PubChem CID121366050
Molecular FormulaC15H10FNOS
Molecular Weight271.32 g/mol
Exact Mass271.05
IUPAC Name6-amino-2-(4-fluorophenyl)thiochromen-4-one
SMILESNc1ccc2sc(-c3ccc(F)cc3)cc(=O)c2c1
InChIInChI=1S/C15H10FNOS/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,17H2
InChIKeySLFKLLSFUYIPQE-UHFFFAOYSA-N
XLogP3.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
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 6-amino-2-(4-fluorophenyl)thiochromen-4-one?
The IUPAC name of 6-amino-2-(4-fluorophenyl)thiochromen-4-one (CID 121366050) is 6-amino-2-(4-fluorophenyl)thiochromen-4-one.
What is the SMILES notation for 6-amino-2-(4-fluorophenyl)thiochromen-4-one?
The canonical SMILES for 6-amino-2-(4-fluorophenyl)thiochromen-4-one is Nc1ccc2sc(-c3ccc(F)cc3)cc(=O)c2c1.
What is the InChIKey of 6-amino-2-(4-fluorophenyl)thiochromen-4-one?
The InChIKey is SLFKLLSFUYIPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNOS/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,17H2.
What are the key properties of 6-amino-2-(4-fluorophenyl)thiochromen-4-one?
6-amino-2-(4-fluorophenyl)thiochromen-4-one has a molecular weight of 271.32 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-fluorophenyl)thiochromen-4-one is sourced from PubChem (CID 121366050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).