Basic information
- CAS
702695-15-6- Standard SMILES
O=C(Cc1ccc(F)cc1)N1CCCN1- InChIKey
JLFFOQNXBKRRIB-UHFFFAOYSA-N- Molecular formula
- C11H13FN2O
- Average molar mass
- 208.23 g/mol
- Monoisotopic mass
- 208.1011912
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-1-(pyrazolidin-1-yl)ethan-1-one
- IUPAC
- 2-(4-fluorophenyl)-1-pyrazolidin-1-ylethanone
Names & synonyms
702695-15-62-(4-Fluorophenyl)-1-(pyrazolidin-1-yl)ethan-1-oneDTXSID70618954
Database identifiers
- CAS
702695-15-6- PubChem CID
- 21861925
- DTXSID
DTXSID70618954- Nikkaji
- J2.347.892G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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