Basic information
- Standard SMILES
COC(=O)C(Cc1cnc(Cl)nc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
UHPDMTRIBIJMNL-UHFFFAOYSA-N- Molecular formula
- C16H10Cl2F6N2O2
- Average molar mass
- 447.2 g/mol
Names & identifiers
- Preferred name
- 2-(3,5-Bis-trifluoromethyl-phenyl)-3-(2,4-dichloro-pyrimidin-5-yl)-propionic acid methyl ester
- IUPAC
- methyl 2-[3,5-bis(trifluoromethyl)phenyl]-3-(2,4-dichloropyrimidin-5-yl)propanoate
Names & synonyms
2-(3,5-bis-trifluoromethyl-phenyl)-3-(2,4-dichloro-pyrimidin-5-yl)-propionic acid methyl esterSCHEMBL4769616
Database identifiers
- PubChem CID
- 21044323
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 526
Related reactions
3 records
Compound notes
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