4-(Heptadecafluorooctyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Basic information
- CAS
834880-68-1- Standard SMILES
O=C1OC(=O)C2C1CC=CC2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
WKWXWNGWQGRGLD-UHFFFAOYSA-N- Molecular formula
- C16H7F17O3
- Average molar mass
- 570.2 g/mol
- Monoisotopic mass
- 570.0123728
Names & identifiers
- Preferred name
- 4-(Heptadecafluorooctyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- IUPAC
- 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Names & synonyms
834880-68-14-(Heptadecafluorooctyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dioneDTXSID00834781
Database identifiers
- CAS
834880-68-1- PubChem CID
- 71415366
- DTXSID
DTXSID00834781
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 948
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…