Basic information
- CAS
3794-17-0- Standard SMILES
C=CCC1(c2ccc(F)cc2)C(=O)NC(=O)NC1=O- InChIKey
MDIOZGJOBRNKSK-UHFFFAOYSA-N- Molecular formula
- C13H11FN2O3
- Average molar mass
- 262.24 g/mol
- Monoisotopic mass
- 262.07537038
Names & identifiers
- Preferred name
- 5-(4-Fluorophenyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-ALLYL-5-(p-FLUOROPHENYL)-3794-17-0DTXSID00191381RefChem:1072467DTXCID101138725-(4-Fluorophenyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrioneBRN 05448905-Allyl-5-(p-fluorophenyl)barbituric acidAcido 5-allil-5-(p-fluorofenil)barbiturico [Italian]Acido 5-allil-5-(p-fluorofenil)barbiturico5-(4-fluorophenyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
3794-17-0- PubChem CID
- 19627
- DTXSID
DTXSID00191381- Nikkaji
- J84.845J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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