8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C13H16F3N3O — CID 123986837

IUPAC8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(OC23CCCN2CCNC3)n1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-3-1-4-11(18-10)20-12-5-2-7-19(12)8-6-17-9-12/h1,3-4,17H,2,5-9H2
InChIKeyACWMBNUIBWGMKZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.87
Rot. Bonds2

About 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine

8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 123986837) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID123986837
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(OC23CCCN2CCNC3)n1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-3-1-4-11(18-10)20-12-5-2-7-19(12)8-6-17-9-12/h1,3-4,17H,2,5-9H2
InChIKeyACWMBNUIBWGMKZ-UHFFFAOYSA-N
XLogP1.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
2-Methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride
CID 22499431
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
1,4-Dimethyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperazine
CID 172434078
1-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperazine
CID 172434533
1-[6-(2,2-Difluoroethoxy)pyridin-2-yl]methanamine hydrochloride
CID 165456784
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020
N,2-dimethyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211029
[6-(4-Fluorophenoxy)pyridin-2-yl]methanamine
CID 62297858
(6-(2,2-Difluoroethoxy)pyridin-2-yl)methanamine
CID 71757854

Frequently Asked Questions

What is the IUPAC name of 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 123986837) is 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine is FC(F)(F)c1cccc(OC23CCCN2CCNC3)n1.
What is the InChIKey of 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is ACWMBNUIBWGMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)10-3-1-4-11(18-10)20-12-5-2-7-19(12)8-6-17-9-12/h1,3-4,17H,2,5-9H2.
What are the key properties of 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 287.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 123986837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).