Basic information
- Standard SMILES
CCc1cc(C(O)(C(F)(F)F)C(F)(F)C(F)(F)F)cc(C)c1N- InChIKey
FLURAYATYAFNLX-UHFFFAOYSA-N- Molecular formula
- C13H13F8NO
- Average molar mass
- 351.23 g/mol
- Monoisotopic mass
- 351.08693933
Names & identifiers
- Preferred name
- 2-(4-Amino-3-ethyl-5-methylphenyl)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
- IUPAC
- 2-(4-amino-3-ethyl-5-methylphenyl)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
Names & synonyms
2-(4-amino-3-ethyl-5-methylphenyl)-1,1,1,3,3,4,4,4-octafluorobutan-2-olSCHEMBL298436
Database identifiers
- PubChem CID
- 86665288
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
2 records
Compound notes
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