7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one

C9H7F3N2O — CID 5311897

IUPAC7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15)
InChIKeyDYBIQELZTJXUKA-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.07
Rot. Bonds

About 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one

7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 5311897) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID5311897
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15)
InChIKeyDYBIQELZTJXUKA-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 5311897) is 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2ccc(C(F)(F)F)cc2N1.
What is the InChIKey of 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is DYBIQELZTJXUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15).
What are the key properties of 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one?
7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 216.16 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 5311897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).