(2R,4R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexanal

HCID 86615331
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Basic information

Standard SMILES
CC[C@H](C[C@@](O)(C=O)C(F)(F)F)c1ccc(F)c(C)c1OC
InChIKey
UNDJOHHXXJEABE-QMTHXVAHSA-N
Molecular formula
C15H18F4O3
Average molar mass
322.29 g/mol
Monoisotopic mass
322.11920708

Names & identifiers

Preferred name
(2R,4R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexanal
IUPAC
(2R,4R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexanal

Names & synonyms

(2R,4R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexanalSCHEMBL1261842

Database identifiers

PubChem CID
86615331

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
22

Related reactions

6 records
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Compound notes

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