3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C12H17F3N2O2 — CID 79932622

IUPAC3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-2-8-10(18)16-6-4-3-5-9(16)11(19)17(8)7-12(13,14)15/h8-9H,2-7H2,1H3
InChIKeyILHBXZWGZFWREY-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.55
Rot. Bonds2

About 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79932622) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79932622
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-2-8-10(18)16-6-4-3-5-9(16)11(19)17(8)7-12(13,14)15/h8-9H,2-7H2,1H3
InChIKeyILHBXZWGZFWREY-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79932622) is 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCCC2C(=O)N1CC(F)(F)F.
What is the InChIKey of 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is ILHBXZWGZFWREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-2-8-10(18)16-6-4-3-5-9(16)11(19)17(8)7-12(13,14)15/h8-9H,2-7H2,1H3.
What are the key properties of 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 278.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2,2,2-trifluoroethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79932622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).