(3-fluoro-2-formylphenoxy)boronic acid

C7H6BFO4 — CID 163404826

IUPAC(3-fluoro-2-formylphenoxy)boronic acid
SMILESO=Cc1c(F)cccc1OB(O)O
InChIInChI=1S/C7H6BFO4/c9-6-2-1-3-7(5(6)4-10)13-8(11)12/h1-4,11-12H
InChIKeyVXAOIALHDRIFAR-UHFFFAOYSA-N
MW183.93 g/mol
LogP-0.01
Rot. Bonds3

About (3-fluoro-2-formylphenoxy)boronic acid

(3-fluoro-2-formylphenoxy)boronic acid (PubChem CID 163404826) has the molecular formula C7H6BFO4 and a molecular weight of 183.93 g/mol. Its IUPAC name is (3-fluoro-2-formylphenoxy)boronic acid.

Molecular Properties

Compound Name(3-fluoro-2-formylphenoxy)boronic acid
PubChem CID163404826
Molecular FormulaC7H6BFO4
Molecular Weight183.93 g/mol
Exact Mass184.03
IUPAC Name(3-fluoro-2-formylphenoxy)boronic acid
SMILESO=Cc1c(F)cccc1OB(O)O
InChIInChI=1S/C7H6BFO4/c9-6-2-1-3-7(5(6)4-10)13-8(11)12/h1-4,11-12H
InChIKeyVXAOIALHDRIFAR-UHFFFAOYSA-N
XLogP-0.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.93
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenoxy)boronic acid
CID 22237831
2-fluoro-6-(2-methylpropoxy)benzaldehyde
CID 86622730
2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde
CID 114065202
2-fluoro-6-methylbenzaldehyde;methyl formate
CID 163291758
2-(4,4-dimethylcyclohexyl)oxy-6-fluorobenzaldehyde
CID 114065209
2-(2-chloro-5-methylphenoxy)-6-fluorobenzaldehyde
CID 114065194
[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]boronic acid
CID 142785528
2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde
CID 90426997
2-ethenyl-3-fluorobenzaldehyde
CID 86657571
2-(difluoromethyl)-6-fluorobenzaldehyde
CID 84654806
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
(5-fluoronaphthalen-1-yl) formate
CID 57195526

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-formylphenoxy)boronic acid?
The IUPAC name of (3-fluoro-2-formylphenoxy)boronic acid (CID 163404826) is (3-fluoro-2-formylphenoxy)boronic acid.
What is the SMILES notation for (3-fluoro-2-formylphenoxy)boronic acid?
The canonical SMILES for (3-fluoro-2-formylphenoxy)boronic acid is O=Cc1c(F)cccc1OB(O)O.
What is the InChIKey of (3-fluoro-2-formylphenoxy)boronic acid?
The InChIKey is VXAOIALHDRIFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BFO4/c9-6-2-1-3-7(5(6)4-10)13-8(11)12/h1-4,11-12H.
What are the key properties of (3-fluoro-2-formylphenoxy)boronic acid?
(3-fluoro-2-formylphenoxy)boronic acid has a molecular weight of 183.93 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-formylphenoxy)boronic acid is sourced from PubChem (CID 163404826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).