3-(trifluoromethyl)-3H-quinoxalin-2-one

C9H5F3N2O — CID 138059371

IUPAC3-(trifluoromethyl)-3H-quinoxalin-2-one
SMILESO=C1N=c2ccccc2=NC1C(F)(F)F
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4,7H
InChIKeyRSQPGRPHRXCQHG-UHFFFAOYSA-N
MW214.15 g/mol
LogP0.40
Rot. Bonds

About 3-(trifluoromethyl)-3H-quinoxalin-2-one

3-(trifluoromethyl)-3H-quinoxalin-2-one (PubChem CID 138059371) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-3H-quinoxalin-2-one
PubChem CID138059371
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name3-(trifluoromethyl)-3H-quinoxalin-2-one
SMILESO=C1N=c2ccccc2=NC1C(F)(F)F
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4,7H
InChIKeyRSQPGRPHRXCQHG-UHFFFAOYSA-N
XLogP0.40
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-3H-quinoxalin-2-one?
The IUPAC name of 3-(trifluoromethyl)-3H-quinoxalin-2-one (CID 138059371) is 3-(trifluoromethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 3-(trifluoromethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 3-(trifluoromethyl)-3H-quinoxalin-2-one is O=C1N=c2ccccc2=NC1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-3H-quinoxalin-2-one?
The InChIKey is RSQPGRPHRXCQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4,7H.
What are the key properties of 3-(trifluoromethyl)-3H-quinoxalin-2-one?
3-(trifluoromethyl)-3H-quinoxalin-2-one has a molecular weight of 214.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 138059371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).