(2,5-difluorophenyl)-iodoborinic acid

C6H4BF2IO — CID 71167672

IUPAC(2,5-difluorophenyl)-iodoborinic acid
SMILESOB(I)c1cc(F)ccc1F
InChIInChI=1S/C6H4BF2IO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,11H
InChIKeyFVULLFYKVNBYKK-UHFFFAOYSA-N
MW267.81 g/mol
LogP1.09
Rot. Bonds1

About (2,5-difluorophenyl)-iodoborinic acid

(2,5-difluorophenyl)-iodoborinic acid (PubChem CID 71167672) has the molecular formula C6H4BF2IO and a molecular weight of 267.81 g/mol. Its IUPAC name is (2,5-difluorophenyl)-iodoborinic acid.

Molecular Properties

Compound Name(2,5-difluorophenyl)-iodoborinic acid
PubChem CID71167672
Molecular FormulaC6H4BF2IO
Molecular Weight267.81 g/mol
Exact Mass267.94
IUPAC Name(2,5-difluorophenyl)-iodoborinic acid
SMILESOB(I)c1cc(F)ccc1F
InChIInChI=1S/C6H4BF2IO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,11H
InChIKeyFVULLFYKVNBYKK-UHFFFAOYSA-N
XLogP1.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.81
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid
CID 67115134
(5-chloro-2-iodophenyl)-iodoborinic acid
CID 90090628
[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368
(2-tert-butyl-5-fluorophenyl)boronic acid
CID 174006795
(3-borono-4-fluorophenyl)boronic acid
CID 150550580
[5-fluoro-2-(2-hydroxypropan-2-yl)phenyl]boronic acid
CID 55265948
(4-chlorophenyl)-(2,5-difluorophenyl)borinic acid;quinolin-8-ol
CID 69337897
(5-amino-2-fluorophenyl)boronic acid
CID 4683192
(2-amino-4-fluorophenyl)boronic acid
CID 68784088
magnesium;hydride;1,2,4-trifluorobenzene
CID 174647436
[2-[[di(propan-2-yl)amino]methyl]-5-fluorophenyl]boronic acid
CID 53216526
(4-fluoro-2-methylsulfanylphenyl)boronic acid
CID 53216523

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-iodoborinic acid?
The IUPAC name of (2,5-difluorophenyl)-iodoborinic acid (CID 71167672) is (2,5-difluorophenyl)-iodoborinic acid.
What is the SMILES notation for (2,5-difluorophenyl)-iodoborinic acid?
The canonical SMILES for (2,5-difluorophenyl)-iodoborinic acid is OB(I)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-iodoborinic acid?
The InChIKey is FVULLFYKVNBYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BF2IO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,11H.
What are the key properties of (2,5-difluorophenyl)-iodoborinic acid?
(2,5-difluorophenyl)-iodoborinic acid has a molecular weight of 267.81 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-iodoborinic acid is sourced from PubChem (CID 71167672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).