2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C8H13BF2O2 — CID 138040272

IUPAC2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C=C(F)F)OC1(C)C
InChIInChI=1S/C8H13BF2O2/c1-7(2)8(3,4)13-9(12-7)5-6(10)11/h5H,1-4H3
InChIKeyMVFUXTLLCRCQML-UHFFFAOYSA-N
MW190.00 g/mol
LogP2.40
Rot. Bonds1

About 2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 138040272) has the molecular formula C8H13BF2O2 and a molecular weight of 190.00 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID138040272
Molecular FormulaC8H13BF2O2
Molecular Weight190.00 g/mol
Exact Mass190.10
IUPAC Name2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C=C(F)F)OC1(C)C
InChIInChI=1S/C8H13BF2O2/c1-7(2)8(3,4)13-9(12-7)5-6(10)11/h5H,1-4H3
InChIKeyMVFUXTLLCRCQML-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,2-difluoroethenyl)-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-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 138040272) is 2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C=C(F)F)OC1(C)C.
What is the InChIKey of 2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MVFUXTLLCRCQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BF2O2/c1-7(2)8(3,4)13-9(12-7)5-6(10)11/h5H,1-4H3.
What are the key properties of 2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 190.00 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 138040272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).