8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C16H13F2NS — CID 71721899

IUPAC8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESFc1ccc2c(c1)C1C=CCC1C(c1ccc(F)s1)N2
InChIInChI=1S/C16H13F2NS/c17-9-4-5-13-12(8-9)10-2-1-3-11(10)16(19-13)14-6-7-15(18)20-14/h1-2,4-8,10-11,16,19H,3H2
InChIKeyCYNRMWNLBQEWNT-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.85
Rot. Bonds1

About 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 71721899) has the molecular formula C16H13F2NS and a molecular weight of 289.35 g/mol. Its IUPAC name is 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID71721899
Molecular FormulaC16H13F2NS
Molecular Weight289.35 g/mol
Exact Mass289.07
IUPAC Name8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESFc1ccc2c(c1)C1C=CCC1C(c1ccc(F)s1)N2
InChIInChI=1S/C16H13F2NS/c17-9-4-5-13-12(8-9)10-2-1-3-11(10)16(19-13)14-6-7-15(18)20-14/h1-2,4-8,10-11,16,19H,3H2
InChIKeyCYNRMWNLBQEWNT-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 71721899) is 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Fc1ccc2c(c1)C1C=CCC1C(c1ccc(F)s1)N2.
What is the InChIKey of 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is CYNRMWNLBQEWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NS/c17-9-4-5-13-12(8-9)10-2-1-3-11(10)16(19-13)14-6-7-15(18)20-14/h1-2,4-8,10-11,16,19H,3H2.
What are the key properties of 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 289.35 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(5-fluorothiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 71721899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).