4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

C13H15F3N2O — CID 22338210

IUPAC4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESCC1CNCC2Cc3cccc(OC(F)(F)F)c3N12
InChIInChI=1S/C13H15F3N2O/c1-8-6-17-7-10-5-9-3-2-4-11(12(9)18(8)10)19-13(14,15)16/h2-4,8,10,17H,5-7H2,1H3
InChIKeyGKMVVUOOKPNFSH-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.31
Rot. Bonds1

About 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (PubChem CID 22338210) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
PubChem CID22338210
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESCC1CNCC2Cc3cccc(OC(F)(F)F)c3N12
InChIInChI=1S/C13H15F3N2O/c1-8-6-17-7-10-5-9-3-2-4-11(12(9)18(8)10)19-13(14,15)16/h2-4,8,10,17H,5-7H2,1H3
InChIKeyGKMVVUOOKPNFSH-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The IUPAC name of 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (CID 22338210) is 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.
What is the SMILES notation for 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The canonical SMILES for 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is CC1CNCC2Cc3cccc(OC(F)(F)F)c3N12.
What is the InChIKey of 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The InChIKey is GKMVVUOOKPNFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-8-6-17-7-10-5-9-3-2-4-11(12(9)18(8)10)19-13(14,15)16/h2-4,8,10,17H,5-7H2,1H3.
What are the key properties of 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole has a molecular weight of 272.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is sourced from PubChem (CID 22338210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).