Butyrophenone, 4-(5-ethyl-2-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, oxalate
Basic information
- CAS
63377-12-8- Standard SMILES
CCC1COC(C)OC12CC[NH+](CCCC(=O)c1ccc(F)cc1)CC2.O=C([O-])C(=O)O- InChIKey
IECQVCNPHZYEGL-UHFFFAOYSA-N- Molecular formula
- C23H32FNO7
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.21628052
Names & identifiers
- Preferred name
- Butyrophenone, 4-(5-ethyl-2-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, oxalate
- IUPAC
- 4-(5-ethyl-2-methyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one;2-hydroxy-2-oxoacetate
Names & synonyms
Butyrophenone, 4-(5-ethyl-2-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, oxalate63377-12-81,3-Dioxa-9-azaspiro(5.5)undecane, 5-ethyl-9-(3-(p-fluorobenzoyl)propyl)-2-methyl-, oxalateMethyl-2 ethyl-5 (fluoro-4'-benzoyl)-3 propyl-9 dioxa-1,3 aza-9 spiro(5.5)undecane oxalateRefChem:331471
Database identifiers
- CAS
63377-12-8- PubChem CID
- 44473
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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