Imdatifan
3-fluoro-5-[[(4R,6S)-2,2,3,3,6-pentafluoro-4-hydroxy-8-tricyclo[5.3.1.04,11]undeca-1(11),7,9-trienyl]oxy]benzonitrile
Molecular Identity
Imdatifan
3-fluoro-5-[[(4R,6S)-2,2,3,3,6-pentafluoro-4-hydroxy-8-tricyclo[5.3.1.04,11]undeca-1(11),7,9-trienyl]oxy]benzonitrile
PubChem CID: 155214362
2D Structure
Properties
C18H9F6NO2
Molecular Formula
385.30
Molecular Weight
g/mol
385.0537
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
53.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
665
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C2=C(C=CC3=C2C1(C(C3(F)F)(F)F)O)OC4=CC(=CC(=C4)C#N)F)FIsomeric SMILES
SMILES: C1[C@@H](C2=C(C=CC3=C2[C@]1(C(C3(F)F)(F)F)O)OC4=CC(=CC(=C4)C#N)F)FSynonyms(20)
ImdatifanHIF-2|A-IN-72511247-29-13-fluoro-5-[[(4R,6S)-2,2,3,3,6-pentafluoro-4-hydroxy-8-tricyclo[5.3.1.04,11]undeca-1(11),7,9-trienyl]oxy]benzonitrileImdatifan [INN]Imdatifan (USAN/INN)IMDATIFAN [USAN]BL9SLT39J6orb1744512CHEMBL5314521SCHEMBL22559606SCHEMBL29429606NKT2152NKT 2152 [WHO-DD]US11420936, Compound 5
Data from PubChem (NCBI)
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