2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H21BF2O2 — CID 172638908

IUPAC2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C(/c2ccc(F)cc2)c2cccc(F)c2)OC1(C)C
InChIInChI=1S/C20H21BF2O2/c1-19(2)20(3,4)25-21(24-19)13-18(14-8-10-16(22)11-9-14)15-6-5-7-17(23)12-15/h5-13H,1-4H3/b18-13-
InChIKeySZYPLJILVUZMEL-AQTBWJFISA-N
MW342.19 g/mol
LogP5.03
Rot. Bonds3

About 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 172638908) has the molecular formula C20H21BF2O2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID172638908
Molecular FormulaC20H21BF2O2
Molecular Weight342.19 g/mol
Exact Mass342.16
IUPAC Name2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C(/c2ccc(F)cc2)c2cccc(F)c2)OC1(C)C
InChIInChI=1S/C20H21BF2O2/c1-19(2)20(3,4)25-21(24-19)13-18(14-8-10-16(22)11-9-14)15-6-5-7-17(23)12-15/h5-13H,1-4H3/b18-13-
InChIKeySZYPLJILVUZMEL-AQTBWJFISA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.19
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 172638908) is 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C=C(/c2ccc(F)cc2)c2cccc(F)c2)OC1(C)C.
What is the InChIKey of 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SZYPLJILVUZMEL-AQTBWJFISA-N. The full InChI is InChI=1S/C20H21BF2O2/c1-19(2)20(3,4)25-21(24-19)13-18(14-8-10-16(22)11-9-14)15-6-5-7-17(23)12-15/h5-13H,1-4H3/b18-13-.
What are the key properties of 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 342.19 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 172638908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).