3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione

C12H12FNS — CID 11333516

IUPAC3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione
SMILESFC12CCCC1c1ccccc1NC2=S
InChIInChI=1S/C12H12FNS/c13-12-7-3-5-9(12)8-4-1-2-6-10(8)14-11(12)15/h1-2,4,6,9H,3,5,7H2,(H,14,15)
InChIKeyVJAHOHGDTJSAPG-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.42
Rot. Bonds

About 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione

3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione (PubChem CID 11333516) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione.

Molecular Properties

Compound Name3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione
PubChem CID11333516
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione
SMILESFC12CCCC1c1ccccc1NC2=S
InChIInChI=1S/C12H12FNS/c13-12-7-3-5-9(12)8-4-1-2-6-10(8)14-11(12)15/h1-2,4,6,9H,3,5,7H2,(H,14,15)
InChIKeyVJAHOHGDTJSAPG-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione?
The IUPAC name of 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione (CID 11333516) is 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione.
What is the SMILES notation for 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione?
The canonical SMILES for 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione is FC12CCCC1c1ccccc1NC2=S.
What is the InChIKey of 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione?
The InChIKey is VJAHOHGDTJSAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c13-12-7-3-5-9(12)8-4-1-2-6-10(8)14-11(12)15/h1-2,4,6,9H,3,5,7H2,(H,14,15).
What are the key properties of 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione?
3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione has a molecular weight of 221.30 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione is sourced from PubChem (CID 11333516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).