tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane

C23H37BClF3O3Si — CID 169256129

IUPACtert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane
SMILESCc1cc(C(C)(CO[Si](C)(C)C(C)(C)C)C(F)(F)F)c(Cl)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C23H37BClF3O3Si/c1-15-12-16(18(25)13-17(15)24-30-20(5,6)21(7,8)31-24)22(9,23(26,27)28)14-29-32(10,11)19(2,3)4/h12-13H,14H2,1-11H3
InChIKeyLYGWWMFMHDYIES-UHFFFAOYSA-N
MW492.89 g/mol
LogP6.79
Rot. Bonds5

About tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane

tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane (PubChem CID 169256129) has the molecular formula C23H37BClF3O3Si and a molecular weight of 492.89 g/mol. Its IUPAC name is tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane
PubChem CID169256129
Molecular FormulaC23H37BClF3O3Si
Molecular Weight492.89 g/mol
Exact Mass492.22
IUPAC Nametert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane
SMILESCc1cc(C(C)(CO[Si](C)(C)C(C)(C)C)C(F)(F)F)c(Cl)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C23H37BClF3O3Si/c1-15-12-16(18(25)13-17(15)24-30-20(5,6)21(7,8)31-24)22(9,23(26,27)28)14-29-32(10,11)19(2,3)4/h12-13H,14H2,1-11H3
InChIKeyLYGWWMFMHDYIES-UHFFFAOYSA-N
XLogP6.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.89
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane 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

tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclopentyl]oxy-dimethylsilane
CID 132967121
CID 169256695
CID 169256695
Tert-butyl-[[2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
CID 140964221
Tert-butyl-[1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yloxy]-dimethylsilane
CID 162682542
2-[2-Chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpropan-1-ol
CID 169256661
2-[2-Chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,1,3,3,3-pentadeuterio-2-(trideuteriomethyl)propan-1-ol
CID 169256850
Tert-butyl-[3-[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propoxy]-dimethylsilane
CID 171613632

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane (CID 169256129) is tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane is Cc1cc(C(C)(CO[Si](C)(C)C(C)(C)C)C(F)(F)F)c(Cl)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane?
The InChIKey is LYGWWMFMHDYIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37BClF3O3Si/c1-15-12-16(18(25)13-17(15)24-30-20(5,6)21(7,8)31-24)22(9,23(26,27)28)14-29-32(10,11)19(2,3)4/h12-13H,14H2,1-11H3.
What are the key properties of tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane?
tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane has a molecular weight of 492.89 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-chloro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropoxy]-dimethylsilane is sourced from PubChem (CID 169256129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).