3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C13H22F4N2 — CID 103740100

IUPAC3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1CC(F)(F)C(F)F
InChIInChI=1S/C13H22F4N2/c1-2-10-7-18-6-4-3-5-11(18)8-19(10)9-13(16,17)12(14)15/h10-12H,2-9H2,1H3
InChIKeyMDOMRTUXQSZWPC-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.84
Rot. Bonds4

About 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 103740100) has the molecular formula C13H22F4N2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID103740100
Molecular FormulaC13H22F4N2
Molecular Weight282.32 g/mol
Exact Mass282.17
IUPAC Name3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1CC(F)(F)C(F)F
InChIInChI=1S/C13H22F4N2/c1-2-10-7-18-6-4-3-5-11(18)8-19(10)9-13(16,17)12(14)15/h10-12H,2-9H2,1H3
InChIKeyMDOMRTUXQSZWPC-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 103740100) is 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1CN2CCCCC2CN1CC(F)(F)C(F)F.
What is the InChIKey of 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is MDOMRTUXQSZWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F4N2/c1-2-10-7-18-6-4-3-5-11(18)8-19(10)9-13(16,17)12(14)15/h10-12H,2-9H2,1H3.
What are the key properties of 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 282.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 103740100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).