(6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide

C18H18BrF2N — CID 54580758

IUPAC(6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
SMILESBr.Fc1ccc([C@@H]2CN3CCC[C@H]3c3cc(F)ccc32)cc1
InChIInChI=1S/C18H17F2N.BrH/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17;/h3-8,10,17-18H,1-2,9,11H2;1H/t17-,18-;/m0./s1
InChIKeyRAYLKRBQIMAWAT-APTPAJQOSA-N
MW366.25 g/mol
LogP4.83
Rot. Bonds1

About (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide

(6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide (PubChem CID 54580758) has the molecular formula C18H18BrF2N and a molecular weight of 366.25 g/mol. Its IUPAC name is (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide.

Molecular Properties

Compound Name(6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
PubChem CID54580758
Molecular FormulaC18H18BrF2N
Molecular Weight366.25 g/mol
Exact Mass365.06
IUPAC Name(6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
SMILESBr.Fc1ccc([C@@H]2CN3CCC[C@H]3c3cc(F)ccc32)cc1
InChIInChI=1S/C18H17F2N.BrH/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17;/h3-8,10,17-18H,1-2,9,11H2;1H/t17-,18-;/m0./s1
InChIKeyRAYLKRBQIMAWAT-APTPAJQOSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide?
The IUPAC name of (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide (CID 54580758) is (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide.
What is the SMILES notation for (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide?
The canonical SMILES for (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide is Br.Fc1ccc([C@@H]2CN3CCC[C@H]3c3cc(F)ccc32)cc1.
What is the InChIKey of (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide?
The InChIKey is RAYLKRBQIMAWAT-APTPAJQOSA-N. The full InChI is InChI=1S/C18H17F2N.BrH/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17;/h3-8,10,17-18H,1-2,9,11H2;1H/t17-,18-;/m0./s1.
What are the key properties of (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide?
(6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide has a molecular weight of 366.25 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10bS)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide is sourced from PubChem (CID 54580758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).