5-(2,2,3,3,3-pentafluoropropyl)-1H-pyrimidine-2,4-dione
Basic information
- CAS
53489-96-6- Standard SMILES
O=c1[nH]cc(CC(F)(F)C(F)(F)F)c(=O)[nH]1- InChIKey
UNBAXSOXZIQTCI-UHFFFAOYSA-N- Molecular formula
- C7H5F5N2O2
- Average molar mass
- 244.12 g/mol
- Monoisotopic mass
- 244.02711822
Names & identifiers
- Preferred name
- 5-(2,2,3,3,3-pentafluoropropyl)-1H-pyrimidine-2,4-dione
- IUPAC
- 5-(2,2,3,3,3-pentafluoropropyl)-1H-pyrimidine-2,4-dione
Names & synonyms
NSC21330153489-96-6DTXSID80309684NSC-2133015-(2,2,3,3,3-Pentafluoropropyl)-2,4(1H,3H)-pyrimidinedione5-(2,2,3,3,3-Pentafluoropropyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
53489-96-6- PubChem CID
- 310063
- DTXSID
DTXSID80309684
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 360
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Compound notes
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