Basic information
- Standard SMILES
C=C1CCN(C(C)C(O)(Cn2cncn2)c2ccc(F)cc2F)CC1- InChIKey
NFEZZTICAUWDHU-UHFFFAOYSA-N- Molecular formula
- C18H22F2N4O
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- S,S-Efinaconazole
- IUPAC
- 2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Names & synonyms
S,S-Efinaconazole2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidyl)-1-(1,2,4-triazol-1-yl)butan-2-olEfinaconazole (SR) diastereomerC18H22F2N4OSCHEMBL8375862HMS5084C13s5025AKOS026750432DB-1143392-(2,4-Difluorophenyl)-3-(4-methylenepiperidyl)-1-(1,2,4-triazolyl)butan-2-ol(|AR,|AR)-, |A-(2,4-Difluorophenyl)-|A-methyl-4-methylene-|A-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol
Database identifiers
- PubChem CID
- 489129
- Nikkaji
- J3.331.850B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
1 records
Compound notes
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