Basic information
- Standard SMILES
COC(=O)c1[nH]ccc1C(F)(F)C(F)(F)F- InChIKey
OJVVPBLINSUTOR-UHFFFAOYSA-N- Molecular formula
- C8H6F5NO2
- Average molar mass
- 243.13 g/mol
Names & identifiers
- Preferred name
- methyl 3-(perfluoroethyl)-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrrole-2-carboxylate
Names & synonyms
methyl 3-(perfluoroethyl)-1H-pyrrole-2-carboxylate1628642-70-5SCHEMBL16032030methyl 3-(pentafluoroethyl)-1H-pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 90405804
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
2 records
Compound notes
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