Basic information
- CAS
61682-13-1- Standard SMILES
CC1=C(C)C(F)(F)C1=O- InChIKey
YYEDGZGEBXSSLX-UHFFFAOYSA-N- Molecular formula
- C6H6F2O
- Average molar mass
- 132.11 g/mol
- Monoisotopic mass
- 132.03867113
Names & identifiers
- Preferred name
- 4,4-Difluoro-2,3-dimethylcyclobut-2-en-1-one
- IUPAC
- 4,4-difluoro-2,3-dimethylcyclobut-2-en-1-one
Names & synonyms
4,4-Difluoro-2,3-dimethylcyclobut-2-en-1-one61682-13-1DTXSID50617561RefChem:284944DTXCID80568315
Database identifiers
- CAS
61682-13-1- PubChem CID
- 21731270
- DTXSID
DTXSID50617561
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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