2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H20BFO3 — CID 70665284

IUPAC2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC3=CCC(F)C=C3O2)OC1(C)C
InChIInChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)12-7-9-5-6-10(16)8-11(9)17-12/h5,8,10,12H,6-7H2,1-4H3
InChIKeyQYCIGMBXFJKYAS-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.96
Rot. Bonds1

About 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 70665284) has the molecular formula C14H20BFO3 and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID70665284
Molecular FormulaC14H20BFO3
Molecular Weight266.12 g/mol
Exact Mass266.15
IUPAC Name2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC3=CCC(F)C=C3O2)OC1(C)C
InChIInChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)12-7-9-5-6-10(16)8-11(9)17-12/h5,8,10,12H,6-7H2,1-4H3
InChIKeyQYCIGMBXFJKYAS-UHFFFAOYSA-N
XLogP2.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-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-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 70665284) is 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2CC3=CCC(F)C=C3O2)OC1(C)C.
What is the InChIKey of 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QYCIGMBXFJKYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)12-7-9-5-6-10(16)8-11(9)17-12/h5,8,10,12H,6-7H2,1-4H3.
What are the key properties of 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.12 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 70665284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).