2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline

C15H13F3N2 — CID 71271669

IUPAC2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline
SMILESFC(F)(F)c1cccc(C2CNc3ccccc3N2)c1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)11-5-3-4-10(8-11)14-9-19-12-6-1-2-7-13(12)20-14/h1-8,14,19-20H,9H2
InChIKeyQRDCVRQVOYGZDU-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.28
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline

2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline (PubChem CID 71271669) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline
PubChem CID71271669
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline
SMILESFC(F)(F)c1cccc(C2CNc3ccccc3N2)c1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)11-5-3-4-10(8-11)14-9-19-12-6-1-2-7-13(12)20-14/h1-8,14,19-20H,9H2
InChIKeyQRDCVRQVOYGZDU-UHFFFAOYSA-N
XLogP4.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline (CID 71271669) is 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline is FC(F)(F)c1cccc(C2CNc3ccccc3N2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is QRDCVRQVOYGZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2/c16-15(17,18)11-5-3-4-10(8-11)14-9-19-12-6-1-2-7-13(12)20-14/h1-8,14,19-20H,9H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline?
2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 278.28 g/mol, XLogP of 4.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 71271669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).