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Basic information
- Standard SMILES
O=C(O)C=Cc1ccc(C(F)(F)F)nc1Oc1ccc(F)cc1- InChIKey
RBGUBQQRQGHGKI-UHFFFAOYSA-N- Molecular formula
- C15H9F4NO3
- Average molar mass
- 327.23 g/mol
- Monoisotopic mass
- 327.0518558
Names & identifiers
- Preferred name
- 3-[2-(4-Fluoro-phenoxy)-6-trifluoromethyl-pyridin-3-yl]-acrylic acid
- IUPAC
- 3-[2-(4-fluorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
Names & synonyms
3-[2-(4-Fluoro-phenoxy)-6-trifluoromethyl-pyridin-3-yl]-acrylic acidSCHEMBL3778788
Database identifiers
- PubChem CID
- 68782881
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
2 records
Compound notes
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