Basic information
- CAS
918871-88-2- Standard SMILES
Fc1c(F)c(F)c(C2=CCNC2)c(F)c1F- InChIKey
YEPBHESERKIHDN-UHFFFAOYSA-N- Molecular formula
- C10H6F5N
- Average molar mass
- 235.15 g/mol
- Monoisotopic mass
- 235.04204001
Names & identifiers
- Preferred name
- 3-(Pentafluorophenyl)-2,5-dihydro-1H-pyrrole
- IUPAC
- 3-(2,3,4,5,6-pentafluorophenyl)-2,5-dihydro-1H-pyrrole
Names & synonyms
918871-88-23-(Pentafluorophenyl)-2,5-dihydro-1H-pyrroleCHEMBL397633SCHEMBL14085309DTXSID80580991
Database identifiers
- CAS
918871-88-2- PubChem CID
- 16005221
- DTXSID
DTXSID80580991- ChEMBL
CHEMBL397633
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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