3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine

C12H20F3N3 — CID 166586163

IUPAC3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
SMILESFC1CCC(C2CNC3CNCCN32)C(F)C1F
InChIInChI=1S/C12H20F3N3/c13-8-2-1-7(11(14)12(8)15)9-5-17-10-6-16-3-4-18(9)10/h7-12,16-17H,1-6H2
InChIKeyDRXVSHKRBXDPHL-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.61
Rot. Bonds1

About 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine

3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine (PubChem CID 166586163) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
PubChem CID166586163
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
SMILESFC1CCC(C2CNC3CNCCN32)C(F)C1F
InChIInChI=1S/C12H20F3N3/c13-8-2-1-7(11(14)12(8)15)9-5-17-10-6-16-3-4-18(9)10/h7-12,16-17H,1-6H2
InChIKeyDRXVSHKRBXDPHL-UHFFFAOYSA-N
XLogP0.61
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine (CID 166586163) is 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine is FC1CCC(C2CNC3CNCCN32)C(F)C1F.
What is the InChIKey of 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
The InChIKey is DRXVSHKRBXDPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c13-8-2-1-7(11(14)12(8)15)9-5-17-10-6-16-3-4-18(9)10/h7-12,16-17H,1-6H2.
What are the key properties of 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine has a molecular weight of 263.31 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trifluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 166586163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).