1-(2,6-Difluorobenzoyl)pyrrolidine
Basic information
- CAS
84044-77-9- Standard SMILES
O=C(c1c(F)cccc1F)N1CCCC1- InChIKey
WKDBMZQECSVNDS-UHFFFAOYSA-N- Molecular formula
- C11H11F2NO
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0808703
Names & identifiers
- Preferred name
- 1-(2,6-Difluorobenzoyl)pyrrolidine
- IUPAC
- (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone
Names & synonyms
1-(2,6-Difluorobenzoyl)pyrrolidine84044-77-9(2,6-difluorophenyl)(pyrrolidin-1-yl)methanoneMFCD02210599(2,6-difluorophenyl)-pyrrolidin-1-ylmethanoneNX7Cambridge id 5844738MLS000719318CHEMBL1450678SCHEMBL14103288SCHEMBL22122201WKDBMZQECSVNDS-UHFFFAOYSA-N
Show more names
HMS1702B21HMS2685A19STK7648922,6-difluorophenyl pyrrolidinyl ketoneAKOS0005967391-(2,6-Difluorobenzoyl)pyrrolidine #SMR000287426ST051260
Database identifiers
- CAS
84044-77-9- PubChem CID
- 588246
- ChEMBL
CHEMBL1450678- EC Number
- 196-210-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
LogP1.88
Solubility>31.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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