4-Allyl-2-fluoro-4-methylcyclohexa-2,5-dien-1-one
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Basic information
- CAS
25414-32-8- Standard SMILES
C=CCC1(C)C=CC(=O)C(F)=C1- InChIKey
UZSDRINFNYGFFO-UHFFFAOYSA-N- Molecular formula
- C10H11FO
- Average molar mass
- 166.19 g/mol
- Monoisotopic mass
- 166.07939313
Names & identifiers
- Preferred name
- 4-Allyl-2-fluoro-4-methylcyclohexa-2,5-dien-1-one
- IUPAC
- 2-fluoro-4-methyl-4-prop-2-enylcyclohexa-2,5-dien-1-one
- English name
- 2,5-Cyclohexadien-1-one, 2-fluoro-4-methyl-4-(2-propenyl)- (9CI)
- Molecular formula
- C10H11FO
- Molecular weight
- 166.19
Names & synonyms
25414-32-84-allyl-2-fluoro-4-methylcyclohexa-2,5-dien-1-oneUZSDRINFNYGFFO-UHFFFAOYSA-2,5-Cyclohexadien-1-one, 2-fluoro-4-methyl-4-(2-propenyl)-DB-2694904-Allyl-2-Fluoro-4-Methyl-2,5-Cyclohexadien-1-OneInChI=1/C10H11FO/c1-3-5-10(2)6-4-9(12)8(11)7-10/h3-4,6-7H,1,5H2,2H32,5-Cyclohexadien-1-one, 2-fluoro-4-methyl-4-(2-propen-1-yl)-2,5-Cyclohexadien-1-one, 2-fluoro-4-methyl-4-(2-propenyl)- (9CI)
Database identifiers
- CAS
25414-32-8- PubChem CID
- 21674299
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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