2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H19BF2O3 — CID 86687755

IUPAC2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cc(C(F)F)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H19BF2O3/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(12(16)17)8-11(10)18-5/h6-8,12H,1-5H3
InChIKeyZQAOHMPGZMCIQO-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.93
Rot. Bonds3

About 2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 86687755) has the molecular formula C14H19BF2O3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID86687755
Molecular FormulaC14H19BF2O3
Molecular Weight284.11 g/mol
Exact Mass284.14
IUPAC Name2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cc(C(F)F)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H19BF2O3/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(12(16)17)8-11(10)18-5/h6-8,12H,1-5H3
InChIKeyZQAOHMPGZMCIQO-UHFFFAOYSA-N
XLogP2.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(difluoromethyl)-2-methoxyphenyl]-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-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 86687755) is 2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1cc(C(F)F)ccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZQAOHMPGZMCIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BF2O3/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(12(16)17)8-11(10)18-5/h6-8,12H,1-5H3.
What are the key properties of 2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 284.11 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 86687755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).