3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one

C10H4F6N2O — CID 78180206

IUPAC3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one
SMILESO=C1N=C2C=C(C(F)(F)F)C=CC2N=C1C(F)(F)F
InChIInChI=1S/C10H4F6N2O/c11-9(12,13)4-1-2-5-6(3-4)18-8(19)7(17-5)10(14,15)16/h1-3,5H
InChIKeyPHKRAIBDKUGVGI-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.40
Rot. Bonds

About 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one

3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one (PubChem CID 78180206) has the molecular formula C10H4F6N2O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one
PubChem CID78180206
Molecular FormulaC10H4F6N2O
Molecular Weight282.14 g/mol
Exact Mass282.02
IUPAC Name3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one
SMILESO=C1N=C2C=C(C(F)(F)F)C=CC2N=C1C(F)(F)F
InChIInChI=1S/C10H4F6N2O/c11-9(12,13)4-1-2-5-6(3-4)18-8(19)7(17-5)10(14,15)16/h1-3,5H
InChIKeyPHKRAIBDKUGVGI-UHFFFAOYSA-N
XLogP2.40
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

7-(trifluoromethyl)-3H-quinoxalin-2-one
CID 119057457
3-(Trifluoromethyl)-1,4-benzodiazepin-2-one
CID 53860837
3-fluoro-3H-quinolin-2-one
CID 119086068
2,3-difluoro-2H-quinoline-3-carboxamide
CID 141386751
4,5-Difluoro-3-methylidenequinolin-2-one
CID 174791263
6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73083461
6-amino-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73240360
7-fluoro-4aH-quinoxalin-2-one
CID 73825725
7-fluoro-8-methyl-4aH-quinoxalin-2-one
CID 75094955
6-fluoro-4aH-quinoxalin-2-one
CID 76844842
3-fluoro-4aH-quinoxalin-2-one
CID 76851270
5-fluoro-4aH-quinoxalin-2-one
CID 76851473

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one?
The IUPAC name of 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one (CID 78180206) is 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one.
What is the SMILES notation for 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one?
The canonical SMILES for 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one is O=C1N=C2C=C(C(F)(F)F)C=CC2N=C1C(F)(F)F.
What is the InChIKey of 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one?
The InChIKey is PHKRAIBDKUGVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2O/c11-9(12,13)4-1-2-5-6(3-4)18-8(19)7(17-5)10(14,15)16/h1-3,5H.
What are the key properties of 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one?
3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one has a molecular weight of 282.14 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one is sourced from PubChem (CID 78180206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).