Basic information
- Standard SMILES
O=[N+]([O-])c1cc(CN2CCOCC2)cc(C(F)(F)F)c1- InChIKey
SUNWDVJWZASUOD-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2O3
- Average molar mass
- 290.24 g/mol
- Monoisotopic mass
- 290.08782677
Names & identifiers
- Preferred name
- 4-[3-Nitro-5-(trifluoromethyl)benzyl]morpholine
- IUPAC
- 4-[[3-nitro-5-(trifluoromethyl)phenyl]methyl]morpholine
Names & synonyms
4-[3-Nitro-5-(trifluoromethyl)benzyl]morpholine503160-32-5SCHEMBL922222SCHEMBL30697195DB-2054504-(3-Nitro-5-trifluoromethylbenzyl)morpholine4-(3-nitro-5-trifluoromethyl-benzyl)-morpholine4-[[3-nitro-5-(trifluoromethyl)phenyl]methyl]morpholine
Database identifiers
- PubChem CID
- 21955005
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
16 records
Compound notes
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