4-[1-(4-Carboxyphenyl)-1,2,2,3,3,3-hexafluoropropyl]benzoic acid
Basic information
- Standard SMILES
O=C(O)c1ccc(C(F)(c2ccc(C(=O)O)cc2)C(F)(F)C(F)(F)F)cc1- InChIKey
OTKMGUZRALGBHU-UHFFFAOYSA-N- Molecular formula
- C17H10F6O4
- Average molar mass
- 392.25 g/mol
- Monoisotopic mass
- 392.04832777
Names & identifiers
- Preferred name
- 4-[1-(4-Carboxyphenyl)-1,2,2,3,3,3-hexafluoropropyl]benzoic acid
- IUPAC
- 4-[1-(4-carboxyphenyl)-1,2,2,3,3,3-hexafluoropropyl]benzoic acid
Names & synonyms
4-[1-(4-carboxyphenyl)-1,2,2,3,3,3-hexafluoropropyl]benzoic acidSCHEMBL1482190OTKMGUZRALGBHU-UHFFFAOYSA-NDTXSID701348177
Database identifiers
- PubChem CID
- 22013485
- DTXSID
DTXSID701348177
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
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Compound notes
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