(10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

C15H20FNO — CID 142337386

IUPAC(10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESCOCCC1CC[C@@H]2c3cc(F)ccc3CCN12
InChIInChI=1S/C15H20FNO/c1-18-9-7-13-4-5-15-14-10-12(16)3-2-11(14)6-8-17(13)15/h2-3,10,13,15H,4-9H2,1H3/t13?,15-/m1/s1
InChIKeyCWCBVOOBEMLMKY-AWKYBWMHSA-N
MW249.33 g/mol
LogP2.92
Rot. Bonds3

About (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

(10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (PubChem CID 142337386) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name(10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
PubChem CID142337386
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESCOCCC1CC[C@@H]2c3cc(F)ccc3CCN12
InChIInChI=1S/C15H20FNO/c1-18-9-7-13-4-5-15-14-10-12(16)3-2-11(14)6-8-17(13)15/h2-3,10,13,15H,4-9H2,1H3/t13?,15-/m1/s1
InChIKeyCWCBVOOBEMLMKY-AWKYBWMHSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline with MolForge

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Related Compounds

4-Methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-4-ium iodide
CID 137642243
(2S,10bS)-9-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 146164351
(2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 146164468
2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 154206022
2-Ethyl-3-{[3-(methoxymethyl)-1-pyrrolidinyl]methyl}-1,2,3,4-tetrahydroisoquinoline
CID 45250448
1-[1-(4-Fluorophenyl)-3-propoxypropyl]pyrrolidine
CID 91060296
2-(4-Fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine
CID 143163515
2-[(4-Fluorooxan-4-yl)methyl]-1,3-dihydroisoindole
CID 151959655
5-fluoro-1-(methoxymethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 164042146
(3S)-3-ethyl-5-fluoro-2-(oxetan-3-yl)-3,4-dihydro-1H-isoquinoline
CID 174236257
8-fluoro-2-[(3S,4R)-6-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236297
(3R)-3-ethyl-5-fluoro-2-(oxetan-3-yl)-3,4-dihydro-1H-isoquinoline
CID 174236328

Frequently Asked Questions

What is the IUPAC name of (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (CID 142337386) is (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is COCCC1CC[C@@H]2c3cc(F)ccc3CCN12.
What is the InChIKey of (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The InChIKey is CWCBVOOBEMLMKY-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H20FNO/c1-18-9-7-13-4-5-15-14-10-12(16)3-2-11(14)6-8-17(13)15/h2-3,10,13,15H,4-9H2,1H3/t13?,15-/m1/s1.
What are the key properties of (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
(10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline has a molecular weight of 249.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 142337386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).