pEtP3Pa
Basic information
- Standard SMILES
CCCc1ccc(C#Cc2ccc(C(F)(F)C(F)(F)F)cc2)cc1- InChIKey
COZUQEKXIZRNME-UHFFFAOYSA-N- Molecular formula
- C19H15F5
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.10939129
Names & identifiers
- Preferred name
- pEtP3Pa
- IUPAC
- 1-(1,1,2,2,2-pentafluoroethyl)-4-[2-(4-propylphenyl)ethynyl]benzene
Names & synonyms
pEtP3PaDTXSID0013821601-(pentafluoroethyl)-4-[(4-propylphenyl)ethynyl]benzene1-(perfluoroethyl)-4-((4-propylphenyl)ethynyl)benzene
Database identifiers
- PubChem CID
- 175684809
- DTXSID
DTXSID001382160
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 451
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Related reactions
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Compound notes
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