Basic information
- Standard SMILES
C=CCC1(C(=O)OC)CCOc2ccc(F)cc21- InChIKey
RRUYAJJBVZPART-UHFFFAOYSA-N- Molecular formula
- C14H15FO3
- Average molar mass
- 250.26 g/mol
Names & identifiers
- Preferred name
- Methyl 2,3-dihydro-6-fluoro-4-(2-propenyl)-4H-1-benzopyran-4-carboxylate
- IUPAC
- methyl 6-fluoro-4-prop-2-enyl-2,3-dihydrochromene-4-carboxylate
Names & synonyms
SCHEMBL9432026RRUYAJJBVZPART-UHFFFAOYSA-NMethyl 2,3-dihydro-6-fluoro-4-(2-propenyl)-4H-1-benzopyran-4-carboxylate
Database identifiers
- PubChem CID
- 19094435
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
3 records
Compound notes
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