4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

C10H19FN2 — CID 130581245

IUPAC4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESFCCN1CCNC2CCCCC21
InChIInChI=1S/C10H19FN2/c11-5-7-13-8-6-12-9-3-1-2-4-10(9)13/h9-10,12H,1-8H2
InChIKeyZWIZPMWMHVBSCD-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.17
Rot. Bonds2

About 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (PubChem CID 130581245) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
PubChem CID130581245
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESFCCN1CCNC2CCCCC21
InChIInChI=1S/C10H19FN2/c11-5-7-13-8-6-12-9-3-1-2-4-10(9)13/h9-10,12H,1-8H2
InChIKeyZWIZPMWMHVBSCD-UHFFFAOYSA-N
XLogP1.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The IUPAC name of 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (CID 130581245) is 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.
What is the SMILES notation for 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The canonical SMILES for 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is FCCN1CCNC2CCCCC21.
What is the InChIKey of 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The InChIKey is ZWIZPMWMHVBSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c11-5-7-13-8-6-12-9-3-1-2-4-10(9)13/h9-10,12H,1-8H2.
What are the key properties of 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline has a molecular weight of 186.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is sourced from PubChem (CID 130581245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).