6-(trifluoromethyl)-2,3-dihydroquinoxaline

C9H7F3N2 — CID 175068942

IUPAC6-(trifluoromethyl)-2,3-dihydroquinoxaline
SMILESFC(F)(F)c1ccc2c(c1)=NCCN=2
InChIInChI=1S/C9H7F3N2/c10-9(11,12)6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5H,3-4H2
InChIKeyWTAVJMSKWDXXTI-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.96
Rot. Bonds

About 6-(trifluoromethyl)-2,3-dihydroquinoxaline

6-(trifluoromethyl)-2,3-dihydroquinoxaline (PubChem CID 175068942) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3-dihydroquinoxaline
PubChem CID175068942
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name6-(trifluoromethyl)-2,3-dihydroquinoxaline
SMILESFC(F)(F)c1ccc2c(c1)=NCCN=2
InChIInChI=1S/C9H7F3N2/c10-9(11,12)6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5H,3-4H2
InChIKeyWTAVJMSKWDXXTI-UHFFFAOYSA-N
XLogP0.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3-dihydroquinoxaline?
The IUPAC name of 6-(trifluoromethyl)-2,3-dihydroquinoxaline (CID 175068942) is 6-(trifluoromethyl)-2,3-dihydroquinoxaline.
What is the SMILES notation for 6-(trifluoromethyl)-2,3-dihydroquinoxaline?
The canonical SMILES for 6-(trifluoromethyl)-2,3-dihydroquinoxaline is FC(F)(F)c1ccc2c(c1)=NCCN=2.
What is the InChIKey of 6-(trifluoromethyl)-2,3-dihydroquinoxaline?
The InChIKey is WTAVJMSKWDXXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c10-9(11,12)6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5H,3-4H2.
What are the key properties of 6-(trifluoromethyl)-2,3-dihydroquinoxaline?
6-(trifluoromethyl)-2,3-dihydroquinoxaline has a molecular weight of 200.16 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3-dihydroquinoxaline is sourced from PubChem (CID 175068942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).