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

C15H14FNO2 — CID 664607

IUPAC(3aS,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-/m0/s1
InChIKeyBGXDUIOHIMCBER-LKTVYLICSA-N
MW259.28 g/mol
LogP3.66
Rot. Bonds1

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

(3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 664607) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID664607
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(3aS,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-/m0/s1
InChIKeyBGXDUIOHIMCBER-LKTVYLICSA-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 (3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

1-[8-chloro-4-(furan-2-yl)-2,3,3a,9b-tetrahydrofuro[3,2-c]quinolin-5(4H)-yl]ethanone
CID 4300623
8-Chloro-4-furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 648369
4-Furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 3154540
4-Furan-2-yl-8-methoxy-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 2942910
(3aS,4S,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 1085710
(2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712888
(2S,4R)-7-fluoro-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712891
(2S,4R)-2-(furan-2-yl)-7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712892
2-(Furan-2-yl)-2,3-dihydroquinolin-4(1h)-one
CID 10867616
4-Furan-2-yl-8-methyl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 2943614
(9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 118712862
(9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 118712863

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 664607) is (3aS,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 (3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aS,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 (3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is BGXDUIOHIMCBER-LKTVYLICSA-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-/m0/s1.
What are the key properties of (3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
(3aS,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 (3aS,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 664607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).