2(1H)-Quinoxalinone, 3-(1,1,2,2-tetrafluoroethyl)-
Basic information
- CAS
89995-27-7- Standard SMILES
O=c1[nH]c2ccccc2nc1C(F)(F)C(F)F- InChIKey
CFXNTCIWOMBDSP-UHFFFAOYSA-N- Molecular formula
- C10H6F4N2O
- Average molar mass
- 246.16 g/mol
- Monoisotopic mass
- 246.04162547
Names & identifiers
- Preferred name
- 2(1H)-Quinoxalinone, 3-(1,1,2,2-tetrafluoroethyl)-
- IUPAC
- 3-(1,1,2,2-tetrafluoroethyl)-1H-quinoxalin-2-one
Names & synonyms
89995-27-72(1H)-Quinoxalinone, 3-(1,1,2,2-tetrafluoroethyl)-3-(1,1,2,2-Tetrafluoroethyl)-2(1H)-quinoxalinone3-(1,1,2,2-tetrafluoroethyl)-1H-quinoxalin-2-oneMLS000106038HMS2450E14CBDivE_008044CHEMBL1472355DTXSID10385370SMR000103009SR-01000198724SR-01000198724-1
Show more names
3-(1,1,2,2-Tetrafluoroethyl)quinoxalin-2(1H)-one
Database identifiers
- CAS
89995-27-7- PubChem CID
- 2833809
- DTXSID
DTXSID10385370- ChEMBL
CHEMBL1472355
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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