Methyl 2-(difluoromethyl)-5-(1,3-dioxolan-2-ylideneamino)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate
Basic information
- CAS
136530-18-2- Standard SMILES
COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(N=C2OCCO2)c1CC(C)C- InChIKey
NYFUVJGGNWOGAO-UHFFFAOYSA-N- Molecular formula
- C16H17F5N2O4
- Average molar mass
- 396.31 g/mol
- Monoisotopic mass
- 396.11084784
Names & identifiers
- Preferred name
- Methyl 2-(difluoromethyl)-5-(1,3-dioxolan-2-ylideneamino)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate
- IUPAC
- methyl 2-(difluoromethyl)-5-(1,3-dioxolan-2-ylideneamino)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate
Names & synonyms
DTXSID401105803136530-18-2Methyl 2-(difluoromethyl)-5-(1,3-dioxolan-2-ylideneamino)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate
Database identifiers
- CAS
136530-18-2- PubChem CID
- 165367145
- DTXSID
DTXSID401105803
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 547
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Related reactions
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Compound notes
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