1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole

C15H15F3N2 — CID 91143835

IUPAC1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
SMILESFC(F)(F)C1C=CC=C2C1CN1C=CN=C(C3CC3)C21
InChIInChI=1S/C15H15F3N2/c16-15(17,18)12-3-1-2-10-11(12)8-20-7-6-19-13(14(10)20)9-4-5-9/h1-3,6-7,9,11-12,14H,4-5,8H2
InChIKeyJSKSCODNUQBPJF-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.30
Rot. Bonds1

About 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole

1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole (PubChem CID 91143835) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole.

Molecular Properties

Compound Name1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
PubChem CID91143835
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
SMILESFC(F)(F)C1C=CC=C2C1CN1C=CN=C(C3CC3)C21
InChIInChI=1S/C15H15F3N2/c16-15(17,18)12-3-1-2-10-11(12)8-20-7-6-19-13(14(10)20)9-4-5-9/h1-3,6-7,9,11-12,14H,4-5,8H2
InChIKeyJSKSCODNUQBPJF-UHFFFAOYSA-N
XLogP3.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
CID 90960236

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
The IUPAC name of 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole (CID 91143835) is 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole.
What is the SMILES notation for 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
The canonical SMILES for 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole is FC(F)(F)C1C=CC=C2C1CN1C=CN=C(C3CC3)C21.
What is the InChIKey of 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
The InChIKey is JSKSCODNUQBPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c16-15(17,18)12-3-1-2-10-11(12)8-20-7-6-19-13(14(10)20)9-4-5-9/h1-3,6-7,9,11-12,14H,4-5,8H2.
What are the key properties of 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole has a molecular weight of 280.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole is sourced from PubChem (CID 91143835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).