6-amino-8-fluoro-2,3-dihydrothiochromen-4-one

C9H8FNOS — CID 82399035

IUPAC6-amino-8-fluoro-2,3-dihydrothiochromen-4-one
SMILESNc1cc(F)c2c(c1)C(=O)CCS2
InChIInChI=1S/C9H8FNOS/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4H,1-2,11H2
InChIKeyQOHPUXTYGKKXOX-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.09
Rot. Bonds

About 6-amino-8-fluoro-2,3-dihydrothiochromen-4-one

6-amino-8-fluoro-2,3-dihydrothiochromen-4-one (PubChem CID 82399035) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 6-amino-8-fluoro-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name6-amino-8-fluoro-2,3-dihydrothiochromen-4-one
PubChem CID82399035
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name6-amino-8-fluoro-2,3-dihydrothiochromen-4-one
SMILESNc1cc(F)c2c(c1)C(=O)CCS2
InChIInChI=1S/C9H8FNOS/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4H,1-2,11H2
InChIKeyQOHPUXTYGKKXOX-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.09
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-8-fluoro-2,3-dihydrothiochromen-4-one?
The IUPAC name of 6-amino-8-fluoro-2,3-dihydrothiochromen-4-one (CID 82399035) is 6-amino-8-fluoro-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 6-amino-8-fluoro-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 6-amino-8-fluoro-2,3-dihydrothiochromen-4-one is Nc1cc(F)c2c(c1)C(=O)CCS2.
What is the InChIKey of 6-amino-8-fluoro-2,3-dihydrothiochromen-4-one?
The InChIKey is QOHPUXTYGKKXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4H,1-2,11H2.
What are the key properties of 6-amino-8-fluoro-2,3-dihydrothiochromen-4-one?
6-amino-8-fluoro-2,3-dihydrothiochromen-4-one has a molecular weight of 197.23 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-fluoro-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 82399035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).