pEtBzodF4P
Basic information
- Standard SMILES
CCCCc1c(F)cc(OC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)cc1F- InChIKey
MFSMYCOOCVOTKF-UHFFFAOYSA-N- Molecular formula
- C19H15F7O2
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 408.09602685
Names & identifiers
- Preferred name
- pEtBzodF4P
- IUPAC
- (4-butyl-3,5-difluorophenyl) 4-(1,1,2,2,2-pentafluoroethyl)benzoate
Names & synonyms
pEtBzodF4PDTXSID1013816844-butyl-3,5-difluorophenyl 4-(perfluoroethyl)benzoate4-butyl-3,5-difluorophenyl 4-(pentafluoroethyl)benzoate
Database identifiers
- PubChem CID
- 175685436
- DTXSID
DTXSID101381684
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 503
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Related reactions
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Compound notes
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