(4-fluoro-2-methoxycarbonylphenoxy)boronic acid

C8H8BFO5 — CID 142792846

IUPAC(4-fluoro-2-methoxycarbonylphenoxy)boronic acid
SMILESCOC(=O)c1cc(F)ccc1OB(O)O
InChIInChI=1S/C8H8BFO5/c1-14-8(11)6-4-5(10)2-3-7(6)15-9(12)13/h2-4,12-13H,1H3
InChIKeyKAQZVRIMMQQASU-UHFFFAOYSA-N
MW213.96 g/mol
LogP-0.04
Rot. Bonds3

About (4-fluoro-2-methoxycarbonylphenoxy)boronic acid

(4-fluoro-2-methoxycarbonylphenoxy)boronic acid (PubChem CID 142792846) has the molecular formula C8H8BFO5 and a molecular weight of 213.96 g/mol. Its IUPAC name is (4-fluoro-2-methoxycarbonylphenoxy)boronic acid.

Molecular Properties

Compound Name(4-fluoro-2-methoxycarbonylphenoxy)boronic acid
PubChem CID142792846
Molecular FormulaC8H8BFO5
Molecular Weight213.96 g/mol
Exact Mass214.04
IUPAC Name(4-fluoro-2-methoxycarbonylphenoxy)boronic acid
SMILESCOC(=O)c1cc(F)ccc1OB(O)O
InChIInChI=1S/C8H8BFO5/c1-14-8(11)6-4-5(10)2-3-7(6)15-9(12)13/h2-4,12-13H,1H3
InChIKeyKAQZVRIMMQQASU-UHFFFAOYSA-N
XLogP-0.04
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.96
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-methoxycarbonylphenoxy)boronic acid
CID 142796908
methyl 2-but-3-en-2-yloxy-5-fluorobenzoate
CID 170553481
methyl 5-fluoro-2-(hydroxymethyl)benzoate
CID 99769873
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
methyl 5-fluoro-2-nitrosobenzoate
CID 142433030
methyl 5-fluoro-2-pent-4-en-2-yloxybenzoate
CID 118307052
methyl 5-fluoro-2-[(2S)-pent-4-en-2-yl]oxybenzoate
CID 118318794
(5-fluoro-2-methylphenoxy)boronic acid
CID 142726725
methyl 2-(1-ethoxy-2-oxoethoxy)-5-fluorobenzoate
CID 23614467
methyl 2-(4-fluorophenoxy)-5-methylbenzoate
CID 143796271
methyl 2-[(1S)-1-aminoethyl]-5-fluorobenzoate
CID 130699725
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxycarbonylphenoxy)boronic acid?
The IUPAC name of (4-fluoro-2-methoxycarbonylphenoxy)boronic acid (CID 142792846) is (4-fluoro-2-methoxycarbonylphenoxy)boronic acid.
What is the SMILES notation for (4-fluoro-2-methoxycarbonylphenoxy)boronic acid?
The canonical SMILES for (4-fluoro-2-methoxycarbonylphenoxy)boronic acid is COC(=O)c1cc(F)ccc1OB(O)O.
What is the InChIKey of (4-fluoro-2-methoxycarbonylphenoxy)boronic acid?
The InChIKey is KAQZVRIMMQQASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BFO5/c1-14-8(11)6-4-5(10)2-3-7(6)15-9(12)13/h2-4,12-13H,1H3.
What are the key properties of (4-fluoro-2-methoxycarbonylphenoxy)boronic acid?
(4-fluoro-2-methoxycarbonylphenoxy)boronic acid has a molecular weight of 213.96 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxycarbonylphenoxy)boronic acid is sourced from PubChem (CID 142792846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).