Basic information
- Standard SMILES
CCCC#Cc1cnc(-c2ccc(F)cc2)nc1- InChIKey
ULKNXLUZRFTVQW-UHFFFAOYSA-N- Molecular formula
- C15H13FN2
- Average molar mass
- 240.27 g/mol
Names & identifiers
- Preferred name
- 2-(4'-Fluorophenyl)-5-pent-1-ynylpyrimidine
- IUPAC
- 2-(4-fluorophenyl)-5-pent-1-ynylpyrimidine
Names & synonyms
SCHEMBL9249578ULKNXLUZRFTVQW-UHFFFAOYSA-N2-(4'-Fluorophenyl)-5-pent-1-ynylpyrimidine
Database identifiers
- PubChem CID
- 19386263
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Related reactions
2 records
Compound notes
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