3,5-Di-iso-propyl-2-(2,2,2-trifluoroethoxy)-phenylboronic acid

HCID 11098723
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Basic information

Standard SMILES
CC(C)c1cc(B(O)O)c(OCC(F)(F)F)c(C(C)C)c1
InChIKey
IXUFRVFXKMFNLK-UHFFFAOYSA-N
Molecular formula
C14H20BF3O3
Average molar mass
304.11 g/mol

Names & identifiers

Preferred name
3,5-Di-iso-propyl-2-(2,2,2-trifluoroethoxy)-phenylboronic acid
IUPAC
[3,5-di(propan-2-yl)-2-(2,2,2-trifluoroethoxy)phenyl]boronic acid

Names & synonyms

3,5-di-iso-propyl-2-(2,2,2-trifluoroethoxy)-phenylboronic acidSCHEMBL4861540460088-07-7

Database identifiers

PubChem CID
11098723

Properties

Computed structural properties

Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
21

Related reactions

2 records
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Linked notes

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