(6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten

C9H11BBrF2NO3W — CID 158808091

IUPAC(6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten
SMILESCC(C)Oc1ccc(Br)c(B(O)O)c1F.FN=[W]
InChIInChI=1S/C9H11BBrFO3.FN.W/c1-5(2)15-7-4-3-6(11)8(9(7)12)10(13)14;1-2;/h3-5,13-14H,1-2H3;;
InChIKeyRBIMMNSQFIMJLH-UHFFFAOYSA-N
MW493.74 g/mol
LogP1.66
Rot. Bonds3

About (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten

(6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten (PubChem CID 158808091) has the molecular formula C9H11BBrF2NO3W and a molecular weight of 493.74 g/mol. Its IUPAC name is (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten.

Molecular Properties

Compound Name(6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten
PubChem CID158808091
Molecular FormulaC9H11BBrF2NO3W
Molecular Weight493.74 g/mol
Exact Mass492.95
IUPAC Name(6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten
SMILESCC(C)Oc1ccc(Br)c(B(O)O)c1F.FN=[W]
InChIInChI=1S/C9H11BBrFO3.FN.W/c1-5(2)15-7-4-3-6(11)8(9(7)12)10(13)14;1-2;/h3-5,13-14H,1-2H3;;
InChIKeyRBIMMNSQFIMJLH-UHFFFAOYSA-N
XLogP1.66
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.74
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten?
The IUPAC name of (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten (CID 158808091) is (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten.
What is the SMILES notation for (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten?
The canonical SMILES for (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten is CC(C)Oc1ccc(Br)c(B(O)O)c1F.FN=[W].
What is the InChIKey of (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten?
The InChIKey is RBIMMNSQFIMJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BBrFO3.FN.W/c1-5(2)15-7-4-3-6(11)8(9(7)12)10(13)14;1-2;/h3-5,13-14H,1-2H3;;.
What are the key properties of (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten?
(6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten has a molecular weight of 493.74 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid;fluoroiminotungsten is sourced from PubChem (CID 158808091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).