2-(Difluoromethyl)-5-fluorofuran-3-carboxylic acid
Basic information
- CAS
1422766-42-4- Standard SMILES
O=C(O)c1cc(F)oc1C(F)F- InChIKey
ZMSVJBPMPZMYBP-UHFFFAOYSA-N- Molecular formula
- C6H3F3O3
- Average molar mass
- 180.08 g/mol
- Monoisotopic mass
- 180.00342844
Names & identifiers
- Preferred name
- 2-(Difluoromethyl)-5-fluorofuran-3-carboxylic acid
- IUPAC
- 2-(difluoromethyl)-5-fluorofuran-3-carboxylic acid
Names & synonyms
DTXSID601219832MFCD23381705AKOS0173449062-(Difluoromethyl)-5-fluorofuran-3-carboxylic acid2-(difluoromethyl)-5-fluoro-furan-3-carboxylic acid3-Furancarboxylic acid, 2-(difluoromethyl)-5-fluoro-1422766-42-4
Database identifiers
- CAS
1422766-42-4- PubChem CID
- 75530044
- DTXSID
DTXSID601219832
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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