3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C13H23F3N2 — CID 79939255

IUPAC3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCC2CN1CCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-10(2)12-9-17-6-3-4-11(17)8-18(12)7-5-13(14,15)16/h10-12H,3-9H2,1-2H3
InChIKeyGWBINJUTXRNGLP-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.74
Rot. Bonds3

About 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79939255) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79939255
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCC2CN1CCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-10(2)12-9-17-6-3-4-11(17)8-18(12)7-5-13(14,15)16/h10-12H,3-9H2,1-2H3
InChIKeyGWBINJUTXRNGLP-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79939255) is 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)C1CN2CCCC2CN1CCC(F)(F)F.
What is the InChIKey of 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is GWBINJUTXRNGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-10(2)12-9-17-6-3-4-11(17)8-18(12)7-5-13(14,15)16/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 264.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(3,3,3-trifluoropropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79939255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).