2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-
Basic information
- CAS
136410-42-9- Standard SMILES
CCCCCCCCOC1CCC(=O)N1Cc1ccc(F)cc1- InChIKey
SGGKLJLBYGYEOZ-UHFFFAOYSA-N- Molecular formula
- C19H28FNO2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.2104073
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-
- IUPAC
- 1-[(4-fluorophenyl)methyl]-5-octoxypyrrolidin-2-one
Names & synonyms
BRN 4757525(+-)-1-((4-Fluorophenyl)methyl)-5-(octyloxy)-2-pyrrolidinone136410-42-92-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-RefChem:266801SCHEMBL9820710DTXSID409294281-[(4-FLUOROPHENYL)METHYL]-5-(OCTYLOXY)PYRROLIDIN-2-ONE
Database identifiers
- CAS
136410-42-9- PubChem CID
- 3077973
- DTXSID
DTXSID40929428- Nikkaji
- J423.563K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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