2H-Pyran-2-one, 4-(4-fluorobenzoyl)-5,6-dihydro-3-methyl-
Basic information
- CAS
870002-40-7- Standard SMILES
CC1=C(C(=O)c2ccc(F)cc2)CCOC1=O- InChIKey
LYEZEBLMXCBVTG-UHFFFAOYSA-N- Molecular formula
- C13H11FO3
- Average molar mass
- 234.22 g/mol
- Monoisotopic mass
- 234.06922237
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, 4-(4-fluorobenzoyl)-5,6-dihydro-3-methyl-
- IUPAC
- 4-(4-fluorobenzoyl)-5-methyl-2,3-dihydropyran-6-one
Names & synonyms
870002-40-72H-Pyran-2-one, 4-(4-fluorobenzoyl)-5,6-dihydro-3-methyl-DTXSID104696044-(4-Fluorobenzoyl)-3-methyl-5,6-dihydro-2H-pyran-2-one
Database identifiers
- CAS
870002-40-7- PubChem CID
- 11622770
- DTXSID
DTXSID10469604
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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