Basic information
- Standard SMILES
Fc1ccc(OC2CN(c3ccnc(Cl)n3)C2)cc1- InChIKey
KCFJGRWWANEGOR-UHFFFAOYSA-N- Molecular formula
- C13H11ClFN3O
- Average molar mass
- 279.7 g/mol
- Monoisotopic mass
- 279.0574678
Names & identifiers
- Preferred name
- 2-Chloro-4-(3-(4-fluorophenoxy)azetidin-1-yl)pyrimidine
- IUPAC
- 2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyrimidine
Names & synonyms
SCHEMBL2303113KCFJGRWWANEGOR-UHFFFAOYSA-N2-chloro-4-(3-(4-fluorophenoxy)azetidin-1-yl)pyrimidine
Database identifiers
- PubChem CID
- 86685249
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
2 records
Compound notes
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