Methyl 2-cyano-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]acetate
Basic information
- Standard SMILES
COC(=O)C(C#N)C1(c2ccc(F)cc2)CCOC2(CCCCC2)C1- InChIKey
ICIXQDYUEDKWCB-UHFFFAOYSA-N- Molecular formula
- C20H24FNO3
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-cyano-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]acetate
- IUPAC
- methyl 2-cyano-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]acetate
Names & synonyms
SCHEMBL12540893ICIXQDYUEDKWCB-UHFFFAOYSA-Nmethyl 2-cyano-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]acetate
Database identifiers
- PubChem CID
- 68313701
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 528
Related reactions
3 records
Compound notes
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