(2-fluoro-6-methylphenyl)boronamidic acid

C7H9BFNO — CID 174006915

IUPAC(2-fluoro-6-methylphenyl)boronamidic acid
SMILESCc1cccc(F)c1B(N)O
InChIInChI=1S/C7H9BFNO/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,11H,10H2,1H3
InChIKeyZMQAGGNPGINMKL-UHFFFAOYSA-N
MW152.97 g/mol
LogP-0.22
Rot. Bonds1

About (2-fluoro-6-methylphenyl)boronamidic acid

(2-fluoro-6-methylphenyl)boronamidic acid (PubChem CID 174006915) has the molecular formula C7H9BFNO and a molecular weight of 152.97 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)boronamidic acid.

Molecular Properties

Compound Name(2-fluoro-6-methylphenyl)boronamidic acid
PubChem CID174006915
Molecular FormulaC7H9BFNO
Molecular Weight152.97 g/mol
Exact Mass153.08
IUPAC Name(2-fluoro-6-methylphenyl)boronamidic acid
SMILESCc1cccc(F)c1B(N)O
InChIInChI=1S/C7H9BFNO/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,11H,10H2,1H3
InChIKeyZMQAGGNPGINMKL-UHFFFAOYSA-N
XLogP-0.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.97
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
ethane;2-fluoro-6-methylphenol
CID 162729094
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
3,6-bis(2-fluoro-6-methylphenyl)-1,2,4,5-tetrazine
CID 129205135
2-(2-fluoro-6-methylphenyl)-1H-pyrrole
CID 137332729
(2,6-dimethylphenyl)-dimethylborane
CID 155791463
(2-fluoro-6-methoxyphenyl)boronic acid
CID 3294524
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
CID 175847357
4-fluoro-5-methyl-9H-fluoren-9-ol
CID 23235356
1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
2-fluoro-6-methylbenzoic acid
CID 13478132

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)boronamidic acid?
The IUPAC name of (2-fluoro-6-methylphenyl)boronamidic acid (CID 174006915) is (2-fluoro-6-methylphenyl)boronamidic acid.
What is the SMILES notation for (2-fluoro-6-methylphenyl)boronamidic acid?
The canonical SMILES for (2-fluoro-6-methylphenyl)boronamidic acid is Cc1cccc(F)c1B(N)O.
What is the InChIKey of (2-fluoro-6-methylphenyl)boronamidic acid?
The InChIKey is ZMQAGGNPGINMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BFNO/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,11H,10H2,1H3.
What are the key properties of (2-fluoro-6-methylphenyl)boronamidic acid?
(2-fluoro-6-methylphenyl)boronamidic acid has a molecular weight of 152.97 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylphenyl)boronamidic acid is sourced from PubChem (CID 174006915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).