Basic information
- CAS
214287-75-9- Standard SMILES
O=C1Nc2ccc(F)c(F)c2C(C#Cc2ccccc2)(C(F)(F)F)N1- InChIKey
AXPZCYNWMKYLLF-UHFFFAOYSA-N- Molecular formula
- C17H9F5N2O
- Average molar mass
- 352.26 g/mol
- Monoisotopic mass
- 352.06350373
Names & identifiers
- Preferred name
- 2(1H)-Quinazolinone, 5,6-difluoro-3,4-dihydro-4-(phenylethynyl)-4-(trifluoromethyl)-
- IUPAC
- 5,6-difluoro-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Names & synonyms
214287-75-92(1H)-Quinazolinone, 5,6-difluoro-3,4-dihydro-4-(phenylethynyl)-4-(trifluoromethyl)-Trifluromethylquinazolinone deriv. 335,6-difluoro-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-oneBDBM2889DTXSID90944005AXPZCYNWMKYLLF-UHFFFAOYSA-N5,6-Difluoro-3,4-dihydro-4-(phenylethynyl)-4-(trifluoromethyl)-2(1H)-quinazolinone5,6-difluoro-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-2-one5,6-Difluoro-4-(phenylethynyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2-ol
Database identifiers
- CAS
214287-75-9- PubChem CID
- 477002
- DTXSID
DTXSID90944005
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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