[5-chloro-2-(difluoromethoxy)phenyl]boronic acid

C7H6BClF2O3 — CID 75485810

IUPAC[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
SMILESOB(O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C7H6BClF2O3/c9-4-1-2-6(14-7(10)11)5(3-4)8(12)13/h1-3,7,12-13H
InChIKeyLETQVFYXPQBIHG-UHFFFAOYSA-N
MW222.38 g/mol
LogP0.62
Rot. Bonds3

About [5-chloro-2-(difluoromethoxy)phenyl]boronic acid

[5-chloro-2-(difluoromethoxy)phenyl]boronic acid (PubChem CID 75485810) has the molecular formula C7H6BClF2O3 and a molecular weight of 222.38 g/mol. Its IUPAC name is [5-chloro-2-(difluoromethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
PubChem CID75485810
Molecular FormulaC7H6BClF2O3
Molecular Weight222.38 g/mol
Exact Mass222.01
IUPAC Name[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
SMILESOB(O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C7H6BClF2O3/c9-4-1-2-6(14-7(10)11)5(3-4)8(12)13/h1-3,7,12-13H
InChIKeyLETQVFYXPQBIHG-UHFFFAOYSA-N
XLogP0.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368
4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
CID 71127951
4-chloro-2-(difluoromethoxy)aniline
CID 19439738
5-chloro-2-(difluoromethoxy)benzenethiol
CID 130775302
4-chloro-2-(difluoromethoxy)benzoyl chloride
CID 131010858
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
1-[4-chloro-2-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 139947231
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
[5-chloro-2-(difluoromethoxy)phenyl]hydrazine;hydrochloride
CID 165125557
3-[5-chloro-2-(difluoromethoxy)phenyl]-2-methylprop-2-en-1-amine
CID 79328704
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
[3-(difluoromethoxy)-2,5-difluorophenyl]boronic acid
CID 171030320

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(difluoromethoxy)phenyl]boronic acid?
The IUPAC name of [5-chloro-2-(difluoromethoxy)phenyl]boronic acid (CID 75485810) is [5-chloro-2-(difluoromethoxy)phenyl]boronic acid.
What is the SMILES notation for [5-chloro-2-(difluoromethoxy)phenyl]boronic acid?
The canonical SMILES for [5-chloro-2-(difluoromethoxy)phenyl]boronic acid is OB(O)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of [5-chloro-2-(difluoromethoxy)phenyl]boronic acid?
The InChIKey is LETQVFYXPQBIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BClF2O3/c9-4-1-2-6(14-7(10)11)5(3-4)8(12)13/h1-3,7,12-13H.
What are the key properties of [5-chloro-2-(difluoromethoxy)phenyl]boronic acid?
[5-chloro-2-(difluoromethoxy)phenyl]boronic acid has a molecular weight of 222.38 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(difluoromethoxy)phenyl]boronic acid is sourced from PubChem (CID 75485810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).