2(1H)-Quinazolinone, 5,6-difluoro-3,4-dihydro-4-(3-methyl-1-butynyl)-4-(trifluoromethyl)-
Basic information
- CAS
214287-72-6- Standard SMILES
CC(C)C#CC1(C(F)(F)F)NC(=O)Nc2ccc(F)c(F)c21- InChIKey
MDBZEMXWDCNPQW-UHFFFAOYSA-N- Molecular formula
- C14H11F5N2O
- Average molar mass
- 318.24 g/mol
- Monoisotopic mass
- 318.07915379
Names & identifiers
- Preferred name
- 2(1H)-Quinazolinone, 5,6-difluoro-3,4-dihydro-4-(3-methyl-1-butynyl)-4-(trifluoromethyl)-
- IUPAC
- 5,6-difluoro-4-(3-methylbut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Names & synonyms
214287-72-62(1H)-Quinazolinone, 5,6-difluoro-3,4-dihydro-4-(3-methyl-1-butynyl)-4-(trifluoromethyl)-Trifluromethylquinazolinone deriv. 205,6-difluoro-4-(3-methylbut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-oneBDBM2877SCHEMBL7237856DTXSID109440025,6-Difluoro-3.4-dihydro-4-(3-methylbutyn-1-yl)-4-(trifluoromethyl)-2(1H)-quinazolinone5,6-Difluoro-4-(3-methylbut-1-yn-1-yl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2-ol5,6-difluoro-4-(3-methylbut-1-yn-1-yl)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-2-one
Database identifiers
- CAS
214287-72-6- PubChem CID
- 477000
- DTXSID
DTXSID10944002
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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