Basic information
- CAS
296881-45-3- Standard SMILES
C#CCOC(=O)c1ccccc1C(=O)OCCCC(F)(F)C(F)(F)F- InChIKey
QYLHJOPBSXVKPF-UHFFFAOYSA-N- Molecular formula
- C16H13F5O4
- Average molar mass
- 364.26 g/mol
- Monoisotopic mass
- 364.0733997
Names & identifiers
- Preferred name
- 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate
- IUPAC
- 1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate
Names & synonyms
4,4,5,5,5-pentafluoropentyl prop-2-yn-1-yl phthalate1-O-(4,4,5,5,5-pentafluoropentyl) 2-O-prop-2-ynyl benzene-1,2-dicarboxylate296881-45-3QYLHJOPBSXVKPF-UHFFFAOYSA-NDTXSID801045655STL355861AKOS0004876581-(4,4,5,5,5-Pentafluoropentyl) 2-(2-propynyl) phthalate #4,4,5,5,5-pentafluoropentyl prop-2-yn-1-yl benzene-1,2-dicarboxylateBenzene-1,2-dicarboxylic acid, 3-propynyl (4,4,5,5,5-pentafluoropentyl) ester
Database identifiers
- CAS
296881-45-3- PubChem CID
- 590776
- DTXSID
DTXSID801045655
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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