Basic information
- CAS
60007-37-6- Standard SMILES
O=c1[nH]cc(C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1- InChIKey
HFWQHAOXBQBFQJ-UHFFFAOYSA-N- Molecular formula
- C7H3F7N2O2
- Average molar mass
- 280.1 g/mol
- Monoisotopic mass
- 280.00827448
Names & identifiers
- Preferred name
- 5-Heptafluoropropyluracil
- IUPAC
- 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione
Names & synonyms
5-Heptafluoropropyluracil60007-37-6DTXSID803442171,2,3,4-Tetrahydropyrazin-2,4-dione, 5-heptafluoropropyl-NS001115655-(Heptafluoropropyl)pyrimidine-2,4(1H,3H)-dione5-(1,1,2,2,3,3,3-Heptafluoropropyl)-2,4(1H,3H)-pyrimidinedione #
Database identifiers
- CAS
60007-37-6- PubChem CID
- 595149
- DTXSID
DTXSID80344217
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…