10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

C18H18F2N2 — CID 46212848

IUPAC10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESFc1ccc(N2CCN3CCc4ccc(F)cc4C3C2)cc1
InChIInChI=1S/C18H18F2N2/c19-14-3-5-16(6-4-14)22-10-9-21-8-7-13-1-2-15(20)11-17(13)18(21)12-22/h1-6,11,18H,7-10,12H2
InChIKeyBBMWSZGHPXAHTN-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.38
Rot. Bonds1

About 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (PubChem CID 46212848) has the molecular formula C18H18F2N2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
PubChem CID46212848
Molecular FormulaC18H18F2N2
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESFc1ccc(N2CCN3CCc4ccc(F)cc4C3C2)cc1
InChIInChI=1S/C18H18F2N2/c19-14-3-5-16(6-4-14)22-10-9-21-8-7-13-1-2-15(20)11-17(13)18(21)12-22/h1-6,11,18H,7-10,12H2
InChIKeyBBMWSZGHPXAHTN-UHFFFAOYSA-N
XLogP3.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The IUPAC name of 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (CID 46212848) is 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.
What is the SMILES notation for 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The canonical SMILES for 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is Fc1ccc(N2CCN3CCc4ccc(F)cc4C3C2)cc1.
What is the InChIKey of 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The InChIKey is BBMWSZGHPXAHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2/c19-14-3-5-16(6-4-14)22-10-9-21-8-7-13-1-2-15(20)11-17(13)18(21)12-22/h1-6,11,18H,7-10,12H2.
What are the key properties of 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline has a molecular weight of 300.35 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 46212848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).