ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

C16H24BF3O2 — CID 144704237

IUPACethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
SMILESCC.Cc1ccc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H18BF3O2.C2H6/c1-9-6-7-10(14(16,17)18)8-11(9)15-19-12(2,3)13(4,5)20-15;1-2/h6-8H,1-5H3;1-2H3
InChIKeySLJYIVPMYKXPMW-UHFFFAOYSA-N
MW316.17 g/mol
LogP4.34
Rot. Bonds1

About ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane (PubChem CID 144704237) has the molecular formula C16H24BF3O2 and a molecular weight of 316.17 g/mol. Its IUPAC name is ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Nameethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
PubChem CID144704237
Molecular FormulaC16H24BF3O2
Molecular Weight316.17 g/mol
Exact Mass316.18
IUPAC Nameethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
SMILESCC.Cc1ccc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H18BF3O2.C2H6/c1-9-6-7-10(14(16,17)18)8-11(9)15-19-12(2,3)13(4,5)20-15;1-2/h6-8H,1-5H3;1-2H3
InChIKeySLJYIVPMYKXPMW-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-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

Related Compounds

2-[2,4-bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
CID 171507112
triethyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]silane
CID 101476740
2-(5-bromo-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 56973228
1-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 140792739
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trideuteriomethyl)phenyl]propan-2-ol
CID 159584434
2-[2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139189520
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate
CID 155731398
2-(5-tert-butyl-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149413877
2-[2-hydroperoxy-6-methyl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169189984
2-[2-diethoxyphosphoryl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166610082
1-benzyl-3-ethylurea;4,4,5,5-tetramethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
CID 143845435
2-[2,5-dimethyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169250167

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane?
The IUPAC name of ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane (CID 144704237) is ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane is CC.Cc1ccc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane?
The InChIKey is SLJYIVPMYKXPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BF3O2.C2H6/c1-9-6-7-10(14(16,17)18)8-11(9)15-19-12(2,3)13(4,5)20-15;1-2/h6-8H,1-5H3;1-2H3.
What are the key properties of ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane?
ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 316.17 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 144704237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).