8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

C11H12ClFN2 — CID 162434263

IUPAC8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESFc1cc2c(cc1Cl)CC1CNCCN21
InChIInChI=1S/C11H12ClFN2/c12-9-4-7-3-8-6-14-1-2-15(8)11(7)5-10(9)13/h4-5,8,14H,1-3,6H2
InChIKeySQSBJIMMBYDOBS-UHFFFAOYSA-N
MW226.68 g/mol
LogP1.81
Rot. Bonds

About 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (PubChem CID 162434263) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
PubChem CID162434263
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESFc1cc2c(cc1Cl)CC1CNCCN21
InChIInChI=1S/C11H12ClFN2/c12-9-4-7-3-8-6-14-1-2-15(8)11(7)5-10(9)13/h4-5,8,14H,1-3,6H2
InChIKeySQSBJIMMBYDOBS-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The IUPAC name of 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (CID 162434263) is 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.
What is the SMILES notation for 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The canonical SMILES for 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is Fc1cc2c(cc1Cl)CC1CNCCN21.
What is the InChIKey of 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The InChIKey is SQSBJIMMBYDOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c12-9-4-7-3-8-6-14-1-2-15(8)11(7)5-10(9)13/h4-5,8,14H,1-3,6H2.
What are the key properties of 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole has a molecular weight of 226.68 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is sourced from PubChem (CID 162434263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).