1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol

HCID 69415809
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Basic information

Standard SMILES
COc1ccc(F)cc1C(C)(C)CC(O)(CSc1ccc(C)cc1)C(F)(F)F
InChIKey
LJBAPVWGDIKIRA-UHFFFAOYSA-N
Molecular formula
C21H24F4O2S
Average molar mass
416.5 g/mol

Names & identifiers

Preferred name
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol
IUPAC
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol

Names & synonyms

SCHEMBL5357304

Database identifiers

PubChem CID
69415809

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
54.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
28

Related reactions

2 records
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Compound notes

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