Basic information
- Standard SMILES
CC(C(=O)OC(C)(C)C)C(=O)c1ncc(Cl)cc1F- InChIKey
YQMOEWJWMBWGDQ-UHFFFAOYSA-N- Molecular formula
- C13H15ClFNO3
- Average molar mass
- 287.71 g/mol
- Monoisotopic mass
- 287.0724492
Names & identifiers
- Preferred name
- 3-(5-Chloro-3-fluoropyridin-2-yl)-2-methyl-3-oxopropionic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-3-oxopropanoate
Names & synonyms
SCHEMBL7690093YQMOEWJWMBWGDQ-UHFFFAOYSA-N3- (5-chloro-3-fluoropyridin-2-yl)-2-methyl-3-oxopropionic acid tert-but yl ester3-(5-Chloro-3-fluoropyridin-2-yl)-2-methyl-3-oxopropionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 22013577
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
4 records
Compound notes
Loading…