(10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

C12H10BrF3N2O — CID 11383153

IUPAC(10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2c(cc(Br)cc2C(F)(F)F)[C@@H]2CNCCN12
InChIInChI=1S/C12H10BrF3N2O/c13-6-3-7-9-5-17-1-2-18(9)11(19)10(7)8(4-6)12(14,15)16/h3-4,9,17H,1-2,5H2/t9-/m0/s1
InChIKeyIOANSUANEVTJCH-VIFPVBQESA-N
MW335.12 g/mol
LogP2.57
Rot. Bonds

About (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

(10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (PubChem CID 11383153) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name(10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
PubChem CID11383153
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name(10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2c(cc(Br)cc2C(F)(F)F)[C@@H]2CNCCN12
InChIInChI=1S/C12H10BrF3N2O/c13-6-3-7-9-5-17-1-2-18(9)11(19)10(7)8(4-6)12(14,15)16/h3-4,9,17H,1-2,5H2/t9-/m0/s1
InChIKeyIOANSUANEVTJCH-VIFPVBQESA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The IUPAC name of (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (CID 11383153) is (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is O=C1c2c(cc(Br)cc2C(F)(F)F)[C@@H]2CNCCN12.
What is the InChIKey of (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The InChIKey is IOANSUANEVTJCH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c13-6-3-7-9-5-17-1-2-18(9)11(19)10(7)8(4-6)12(14,15)16/h3-4,9,17H,1-2,5H2/t9-/m0/s1.
What are the key properties of (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
(10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one has a molecular weight of 335.12 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-9-bromo-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 11383153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).