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

C12H11BrFNS — CID 18516399

IUPAC8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione
SMILESFC12CCCC1c1cc(Br)ccc1NC2=S
InChIInChI=1S/C12H11BrFNS/c13-7-3-4-10-8(6-7)9-2-1-5-12(9,14)11(16)15-10/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeySXLNLGRBVRBTSZ-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.18
Rot. Bonds

About 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione

8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione (PubChem CID 18516399) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione.

Molecular Properties

Compound Name8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione
PubChem CID18516399
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione
SMILESFC12CCCC1c1cc(Br)ccc1NC2=S
InChIInChI=1S/C12H11BrFNS/c13-7-3-4-10-8(6-7)9-2-1-5-12(9,14)11(16)15-10/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeySXLNLGRBVRBTSZ-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.18
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 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione?
The IUPAC name of 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione (CID 18516399) is 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione.
What is the SMILES notation for 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione?
The canonical SMILES for 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione is FC12CCCC1c1cc(Br)ccc1NC2=S.
What is the InChIKey of 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione?
The InChIKey is SXLNLGRBVRBTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c13-7-3-4-10-8(6-7)9-2-1-5-12(9,14)11(16)15-10/h3-4,6,9H,1-2,5H2,(H,15,16).
What are the key properties of 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione?
8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione has a molecular weight of 300.20 g/mol, XLogP of 4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-thione is sourced from PubChem (CID 18516399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).