3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

C14H18FNO2 — CID 10999500

IUPAC3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESOCCC[C@H]1Nc2ccc(F)cc2[C@H]2OCC[C@H]21
InChIInChI=1S/C14H18FNO2/c15-9-3-4-13-11(8-9)14-10(5-7-18-14)12(16-13)2-1-6-17/h3-4,8,10,12,14,16-17H,1-2,5-7H2/t10-,12+,14-/m0/s1
InChIKeyCAUFTYVPCDFEKA-SUHUHFCYSA-N
MW251.30 g/mol
LogP2.47
Rot. Bonds3

About 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (PubChem CID 10999500) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
PubChem CID10999500
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESOCCC[C@H]1Nc2ccc(F)cc2[C@H]2OCC[C@H]21
InChIInChI=1S/C14H18FNO2/c15-9-3-4-13-11(8-9)14-10(5-7-18-14)12(16-13)2-1-6-17/h3-4,8,10,12,14,16-17H,1-2,5-7H2/t10-,12+,14-/m0/s1
InChIKeyCAUFTYVPCDFEKA-SUHUHFCYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol with MolForge

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Related Compounds

4-[(4aR,5R,10bR)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]butan-1-ol
CID 102464253
4-[(4aR,5S,10bS)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]butan-1-ol
CID 95735461
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CID 11335929
3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 15548474
3-[(3aS,9bS)-8-nitro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 135070047
3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 102513448
4-[(3aS,4R,9bS)-7,8-dimethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol
CID 101173424
(3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11882174
8-tert-butyl-4-(2,5-difluorophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 143069918
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CID 7449335
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CID 11543938
(4aR,5R,10bR)-5-(2-ethoxyphenyl)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 98478414

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The IUPAC name of 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (CID 10999500) is 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The canonical SMILES for 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is OCCC[C@H]1Nc2ccc(F)cc2[C@H]2OCC[C@H]21.
What is the InChIKey of 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The InChIKey is CAUFTYVPCDFEKA-SUHUHFCYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-9-3-4-13-11(8-9)14-10(5-7-18-14)12(16-13)2-1-6-17/h3-4,8,10,12,14,16-17H,1-2,5-7H2/t10-,12+,14-/m0/s1.
What are the key properties of 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol has a molecular weight of 251.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is sourced from PubChem (CID 10999500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).