(3-chloro-2-fluorophenyl)methylboronic acid

C7H7BClFO2 — CID 102861439

IUPAC(3-chloro-2-fluorophenyl)methylboronic acid
SMILESOB(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C7H7BClFO2/c9-6-3-1-2-5(7(6)10)4-8(11)12/h1-3,11-12H,4H2
InChIKeyCGJCYHWHQFKDCF-UHFFFAOYSA-N
MW188.39 g/mol
LogP1.03
Rot. Bonds2

About (3-chloro-2-fluorophenyl)methylboronic acid

(3-chloro-2-fluorophenyl)methylboronic acid (PubChem CID 102861439) has the molecular formula C7H7BClFO2 and a molecular weight of 188.39 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)methylboronic acid.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)methylboronic acid
PubChem CID102861439
Molecular FormulaC7H7BClFO2
Molecular Weight188.39 g/mol
Exact Mass188.02
IUPAC Name(3-chloro-2-fluorophenyl)methylboronic acid
SMILESOB(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C7H7BClFO2/c9-6-3-1-2-5(7(6)10)4-8(11)12/h1-3,11-12H,4H2
InChIKeyCGJCYHWHQFKDCF-UHFFFAOYSA-N
XLogP1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.39
LogP ≤ 51.03
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

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CID 91291585
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CID 117289578
1-chloro-3-(4-chlorobutyl)-2-fluorobenzene
CID 102862230
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
4-(3-chloro-2-fluorophenyl)butanal
CID 102861971
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115696357
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)methylboronic acid?
The IUPAC name of (3-chloro-2-fluorophenyl)methylboronic acid (CID 102861439) is (3-chloro-2-fluorophenyl)methylboronic acid.
What is the SMILES notation for (3-chloro-2-fluorophenyl)methylboronic acid?
The canonical SMILES for (3-chloro-2-fluorophenyl)methylboronic acid is OB(O)Cc1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)methylboronic acid?
The InChIKey is CGJCYHWHQFKDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BClFO2/c9-6-3-1-2-5(7(6)10)4-8(11)12/h1-3,11-12H,4H2.
What are the key properties of (3-chloro-2-fluorophenyl)methylboronic acid?
(3-chloro-2-fluorophenyl)methylboronic acid has a molecular weight of 188.39 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)methylboronic acid is sourced from PubChem (CID 102861439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).