1-Butanone, 1-(4-fluorophenyl)-3-methyl-4-(4-morpholinyl)-, (+-)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
36477-21-1- Standard SMILES
CC(CC(=O)c1ccc(F)cc1)CN1CCOCC1.O=C(O)/C=C/C(=O)O- InChIKey
MQDHKVKDADXSQZ-WLHGVMLRSA-N- Molecular formula
- C19H24FNO6
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.15876565
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-fluorophenyl)-3-methyl-4-(4-morpholinyl)-, (+-)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-(4-fluorophenyl)-3-methyl-4-morpholin-4-ylbutan-1-one
Names & synonyms
1-Butanone, 1-(4-fluorophenyl)-3-methyl-4-(4-morpholinyl)-, (+-)-, (Z)-2-butenedioate (1:1)36477-21-1RefChem:1055111(+-)-1-(4-Fluorophenyl)-3-methyl-4-(4-morpholinyl)-1-butanone (Z)-2-butenedioate (1:1)
Database identifiers
- CAS
36477-21-1- PubChem CID
- 6445486
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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