Basic information
- Standard SMILES
CCCCOCC(F)(F)C(F)(F)C(F)(F)COc1ccc(C(=O)O)cc1- InChIKey
QVRFQUGJPGKANQ-UHFFFAOYSA-N- Molecular formula
- C16H18F6O4
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 388.11092802
Names & identifiers
- Preferred name
- 4-(5-Butoxy-2,2,3,3,4,4-hexafluoropentoxy)benzoic acid
- IUPAC
- 4-(5-butoxy-2,2,3,3,4,4-hexafluoropentoxy)benzoic acid
Names & synonyms
4-(5-butoxy-2,2,3,3,4,4-hexafluoropentoxy)benzoic acidSCHEMBL8074108
Database identifiers
- PubChem CID
- 20082756
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
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