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4-[1,1,2-Trifluoro-2-(trifluoromethoxy)ethoxy]benzyl alcohol

HCID 54115502
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
OCc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1
InChIKey
NKAYSJIEUIJBOO-UHFFFAOYSA-N
Molecular formula
C10H8F6O3
Average molar mass
290.16 g/mol

Names & identifiers

Preferred name
4-[1,1,2-Trifluoro-2-(trifluoromethoxy)ethoxy]benzyl alcohol
IUPAC
[4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]methanol

Names & synonyms

4-[1,1,2-Trifluoro-2-(trifluoromethoxy)ethoxy]benzyl alcohol132400-54-5SCHEMBL91591894-(1,1,2-trifluoro-2-trifluoromethoxy-ethoxy)-benzyl alcohol

Database identifiers

PubChem CID
54115502

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
275

Related reactions

2 records
New reaction record
HRID 204484 reaction equation
HRID 204484As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1681132 reaction equation
HRID 1681132As reactantuspto-grants-1992_12

Compound notes

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