1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline

C11H19F3N2 — CID 118103383

IUPAC1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
SMILESCN1CCN(CC(F)(F)F)C2CCCCC21
InChIInChI=1S/C11H19F3N2/c1-15-6-7-16(8-11(12,13)14)10-5-3-2-4-9(10)15/h9-10H,2-8H2,1H3
InChIKeyXAVBDSFRUDEJSF-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.11
Rot. Bonds1

About 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline

1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline (PubChem CID 118103383) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline.

Molecular Properties

Compound Name1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
PubChem CID118103383
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
SMILESCN1CCN(CC(F)(F)F)C2CCCCC21
InChIInChI=1S/C11H19F3N2/c1-15-6-7-16(8-11(12,13)14)10-5-3-2-4-9(10)15/h9-10H,2-8H2,1H3
InChIKeyXAVBDSFRUDEJSF-UHFFFAOYSA-N
XLogP2.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?
The IUPAC name of 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline (CID 118103383) is 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline.
What is the SMILES notation for 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?
The canonical SMILES for 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is CN1CCN(CC(F)(F)F)C2CCCCC21.
What is the InChIKey of 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?
The InChIKey is XAVBDSFRUDEJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-15-6-7-16(8-11(12,13)14)10-5-3-2-4-9(10)15/h9-10H,2-8H2,1H3.
What are the key properties of 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?
1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline has a molecular weight of 236.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is sourced from PubChem (CID 118103383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).