(4-cyano-2-fluorophenoxy)boronic acid

C7H5BFNO3 — CID 142767760

IUPAC(4-cyano-2-fluorophenoxy)boronic acid
SMILESN#Cc1ccc(OB(O)O)c(F)c1
InChIInChI=1S/C7H5BFNO3/c9-6-3-5(4-10)1-2-7(6)13-8(11)12/h1-3,11-12H
InChIKeyUQTMEUOQDZFKNA-UHFFFAOYSA-N
MW180.93 g/mol
LogP0.05
Rot. Bonds2

About (4-cyano-2-fluorophenoxy)boronic acid

(4-cyano-2-fluorophenoxy)boronic acid (PubChem CID 142767760) has the molecular formula C7H5BFNO3 and a molecular weight of 180.93 g/mol. Its IUPAC name is (4-cyano-2-fluorophenoxy)boronic acid.

Molecular Properties

Compound Name(4-cyano-2-fluorophenoxy)boronic acid
PubChem CID142767760
Molecular FormulaC7H5BFNO3
Molecular Weight180.93 g/mol
Exact Mass181.03
IUPAC Name(4-cyano-2-fluorophenoxy)boronic acid
SMILESN#Cc1ccc(OB(O)O)c(F)c1
InChIInChI=1S/C7H5BFNO3/c9-6-3-5(4-10)1-2-7(6)13-8(11)12/h1-3,11-12H
InChIKeyUQTMEUOQDZFKNA-UHFFFAOYSA-N
XLogP0.05
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.93
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-cyano-2-methoxyphenoxy)boronic acid
CID 153409326
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-(4-cyano-2-fluorophenoxy)benzamide
CID 43657479
3-fluoro-4-(4-oxopentan-2-yloxy)benzonitrile
CID 107666517
4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile
CID 103793506
3-fluoro-4-(2-methylprop-2-enoxy)benzonitrile
CID 103793496
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile
CID 102722144
(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate
CID 107669992
4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
CID 107665713
3-fluoro-4-(5-oxohexoxy)benzonitrile
CID 104891719

Frequently Asked Questions

What is the IUPAC name of (4-cyano-2-fluorophenoxy)boronic acid?
The IUPAC name of (4-cyano-2-fluorophenoxy)boronic acid (CID 142767760) is (4-cyano-2-fluorophenoxy)boronic acid.
What is the SMILES notation for (4-cyano-2-fluorophenoxy)boronic acid?
The canonical SMILES for (4-cyano-2-fluorophenoxy)boronic acid is N#Cc1ccc(OB(O)O)c(F)c1.
What is the InChIKey of (4-cyano-2-fluorophenoxy)boronic acid?
The InChIKey is UQTMEUOQDZFKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BFNO3/c9-6-3-5(4-10)1-2-7(6)13-8(11)12/h1-3,11-12H.
What are the key properties of (4-cyano-2-fluorophenoxy)boronic acid?
(4-cyano-2-fluorophenoxy)boronic acid has a molecular weight of 180.93 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-2-fluorophenoxy)boronic acid is sourced from PubChem (CID 142767760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).