2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline

C9H9F3N2 — CID 84670481

IUPAC2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESFC(F)(F)C1CNc2ccccc2N1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8,13-14H,5H2
InChIKeyNBZJTRWKCXCIOS-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.45
Rot. Bonds

About 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline

2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 84670481) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID84670481
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESFC(F)(F)C1CNc2ccccc2N1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8,13-14H,5H2
InChIKeyNBZJTRWKCXCIOS-UHFFFAOYSA-N
XLogP2.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Analyze 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline (CID 84670481) is 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline is FC(F)(F)C1CNc2ccccc2N1.
What is the InChIKey of 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is NBZJTRWKCXCIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8,13-14H,5H2.
What are the key properties of 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 202.18 g/mol, XLogP of 2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 84670481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).