(3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C15H14FNO2 — CID 11882174

IUPAC(3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESFc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@@H](c1ccco1)N2
InChIInChI=1S/C15H14FNO2/c16-9-3-4-12-11(8-9)15-10(5-7-19-15)14(17-12)13-2-1-6-18-13/h1-4,6,8,10,14-15,17H,5,7H2/t10-,14+,15+/m1/s1
InChIKeyBGXDUIOHIMCBER-ONERCXAPSA-N
MW259.28 g/mol
LogP3.66
Rot. Bonds1

About (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

(3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 11882174) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID11882174
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESFc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@@H](c1ccco1)N2
InChIInChI=1S/C15H14FNO2/c16-9-3-4-12-11(8-9)15-10(5-7-19-15)14(17-12)13-2-1-6-18-13/h1-4,6,8,10,14-15,17H,5,7H2/t10-,14+,15+/m1/s1
InChIKeyBGXDUIOHIMCBER-ONERCXAPSA-N
XLogP3.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 11882174) is (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is Fc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@@H](c1ccco1)N2.
What is the InChIKey of (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is BGXDUIOHIMCBER-ONERCXAPSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-9-3-4-12-11(8-9)15-10(5-7-19-15)14(17-12)13-2-1-6-18-13/h1-4,6,8,10,14-15,17H,5,7H2/t10-,14+,15+/m1/s1.
What are the key properties of (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
(3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 259.28 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 11882174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).