Basic information
- Standard SMILES
CCCC(O)(C#Cc1ccc(Cl)c(C(O)CCNC(=O)C(F)(F)F)c1)CCC- InChIKey
JPGJRFHVHGPOKN-UHFFFAOYSA-N- Molecular formula
- C20H25ClF3NO3
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1475058
Names & identifiers
- Preferred name
- N-(3-(2-chloro-5-(3-hydroxy-3-propylhex-1-ynyl)phenyl)-3-hydroxypropyl)-2,2,2-trifluoroacetamide
- IUPAC
- N-[3-[2-chloro-5-(3-hydroxy-3-propylhex-1-ynyl)phenyl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
Names & synonyms
N-(3-(2-chloro-5-(3-hydroxy-3-propylhex-1-ynyl)phenyl)-3-hydroxypropyl)-2,2,2-trifluoroacetamideSCHEMBL237455
Database identifiers
- PubChem CID
- 86628463
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 564
Related reactions
11 records
Compound notes
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