9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C12H15FN2 — CID 18520432

IUPAC9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESFc1ccc2c(c1)N1CCNCC1CC2
InChIInChI=1S/C12H15FN2/c13-10-3-1-9-2-4-11-8-14-5-6-15(11)12(9)7-10/h1,3,7,11,14H,2,4-6,8H2
InChIKeyQLQOXYNICXAHQG-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.55
Rot. Bonds

About 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 18520432) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID18520432
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESFc1ccc2c(c1)N1CCNCC1CC2
InChIInChI=1S/C12H15FN2/c13-10-3-1-9-2-4-11-8-14-5-6-15(11)12(9)7-10/h1,3,7,11,14H,2,4-6,8H2
InChIKeyQLQOXYNICXAHQG-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 18520432) is 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is Fc1ccc2c(c1)N1CCNCC1CC2.
What is the InChIKey of 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is QLQOXYNICXAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-10-3-1-9-2-4-11-8-14-5-6-15(11)12(9)7-10/h1,3,7,11,14H,2,4-6,8H2.
What are the key properties of 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 206.26 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 18520432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).