2-(difluoromethyl)-6-methyl-4H-chromen-4-one
Basic information
- CAS
5539-74-2- Standard SMILES
Cc1ccc2oc(C(F)F)cc(=O)c2c1- InChIKey
YODBWZXLTPCVBY-UHFFFAOYSA-N- Molecular formula
- C11H8F2O2
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.04923582
Names & identifiers
- Preferred name
- 2-(difluoromethyl)-6-methyl-4H-chromen-4-one
- IUPAC
- 2-(difluoromethyl)-6-methylchromen-4-one
Names & synonyms
2-(difluoromethyl)-6-methyl-4H-chromen-4-one5539-74-22-(Difluoromethyl)-6-methyl-4H-1-benzopyran-4-one2-(difluoromethyl)-6-methylchromen-4-oneCBMicro_000260SCHEMBL13056421DTXSID00970734YODBWZXLTPCVBY-UHFFFAOYSA-NSMSF0006053STK027813AKOS001659515CB01454
Show more names
BIM-0000160.P001SR-01000472119SR-01000472119-1
Database identifiers
- CAS
5539-74-2- PubChem CID
- 715697
- DTXSID
DTXSID00970734- Nikkaji
- J589.445J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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