Basic information
- Standard SMILES
Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)cc4c3OCC4)C(F)(F)F)cccc2n1- InChIKey
VJGFOYBQOIPQFY-UHFFFAOYSA-N- Molecular formula
- C25H26F4N2O2
- Average molar mass
- 462.5 g/mol
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-4-methyl-2-(((2-methylquinolin-5-yl)amino)methyl)pentan-2-ol
- IUPAC
- 1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
Names & synonyms
1,1,1-Trifluoro-4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-4-methyl-2-(((2-methylquinolin-5-yl)amino)methyl)pentan-2-ol1609049-24-21,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-olSCHEMBL291201SCHEMBL31390404VJGFOYBQOIPQFY-UHFFFAOYSA-NMKB37515CS-00845545-[4-(5-Fluoro-2, 3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]-2-methylquinoline
Database identifiers
- PubChem CID
- 11626782
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 675
Related reactions
2 records
Compound notes
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