2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

C8H14Cl2N2 — CID 67478393

IUPAC2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESClC1NC2CCCCC2NC1Cl
InChIInChI=1S/C8H14Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h5-8,11-12H,1-4H2
InChIKeyONBCIUGVPVHWIM-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.62
Rot. Bonds

About 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (PubChem CID 67478393) has the molecular formula C8H14Cl2N2 and a molecular weight of 209.12 g/mol. Its IUPAC name is 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.

Molecular Properties

Compound Name2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
PubChem CID67478393
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12 g/mol
Exact Mass208.05
IUPAC Name2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESClC1NC2CCCCC2NC1Cl
InChIInChI=1S/C8H14Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h5-8,11-12H,1-4H2
InChIKeyONBCIUGVPVHWIM-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The IUPAC name of 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (CID 67478393) is 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.
What is the SMILES notation for 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The canonical SMILES for 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is ClC1NC2CCCCC2NC1Cl.
What is the InChIKey of 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The InChIKey is ONBCIUGVPVHWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h5-8,11-12H,1-4H2.
What are the key properties of 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline has a molecular weight of 209.12 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is sourced from PubChem (CID 67478393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).