(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid

C12H10B2F4O4 — CID 67115134

IUPAC(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid
SMILESOB(O)c1c(F)cccc1F.OB(O)c1cc(F)ccc1F
InChIInChI=1S/2C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11;8-4-2-1-3-5(9)6(4)7(10)11/h2*1-3,10-11H
InChIKeySWRGZNULHVGHRO-UHFFFAOYSA-N
MW315.82 g/mol
LogP-0.71
Rot. Bonds2

About (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid

(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid (PubChem CID 67115134) has the molecular formula C12H10B2F4O4 and a molecular weight of 315.82 g/mol. Its IUPAC name is (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid.

Molecular Properties

Compound Name(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid
PubChem CID67115134
Molecular FormulaC12H10B2F4O4
Molecular Weight315.82 g/mol
Exact Mass316.07
IUPAC Name(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid
SMILESOB(O)c1c(F)cccc1F.OB(O)c1cc(F)ccc1F
InChIInChI=1S/2C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11;8-4-2-1-3-5(9)6(4)7(10)11/h2*1-3,10-11H
InChIKeySWRGZNULHVGHRO-UHFFFAOYSA-N
XLogP-0.71
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluorophenyl)-iodoborinic acid
CID 71167672
(2-fluoro-6-methoxyphenyl)boronic acid
CID 3294524
(3-borono-4-fluorophenyl)boronic acid
CID 150550580
(5-amino-2-fluorophenyl)boronic acid
CID 4683192
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]boronic acid
CID 63036438
1,3-difluorobenzene;methanol
CID 144994633
[2-(2,4-difluorophenyl)phenyl]boronic acid
CID 22288640
(2-tert-butyl-5-fluorophenyl)boronic acid
CID 174006795
[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid
CID 142746924
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
[5-fluoro-2-(2-hydroxypropan-2-yl)phenyl]boronic acid
CID 55265948
(2-amino-4-fluorophenyl)boronic acid
CID 68784088

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid?
The IUPAC name of (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid (CID 67115134) is (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid.
What is the SMILES notation for (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid?
The canonical SMILES for (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid is OB(O)c1c(F)cccc1F.OB(O)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid?
The InChIKey is SWRGZNULHVGHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11;8-4-2-1-3-5(9)6(4)7(10)11/h2*1-3,10-11H.
What are the key properties of (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid?
(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid has a molecular weight of 315.82 g/mol, XLogP of -0.71, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid is sourced from PubChem (CID 67115134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).