dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane

C24H30BF3O2Si — CID 102010756

IUPACdimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C(c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H30BF3O2Si/c1-17(25-29-22(2,3)23(4,5)30-25)21(31(6,7)20-11-9-8-10-12-20)18-13-15-19(16-14-18)24(26,27)28/h8-16,21H,1H2,2-7H3
InChIKeyAVFYEPHZGKFTQR-UHFFFAOYSA-N
MW446.39 g/mol
LogP6.13
Rot. Bonds5

About dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane

dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane (PubChem CID 102010756) has the molecular formula C24H30BF3O2Si and a molecular weight of 446.39 g/mol. Its IUPAC name is dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
PubChem CID102010756
Molecular FormulaC24H30BF3O2Si
Molecular Weight446.39 g/mol
Exact Mass446.21
IUPAC Namedimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C(c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H30BF3O2Si/c1-17(25-29-22(2,3)23(4,5)30-25)21(31(6,7)20-11-9-8-10-12-20)18-13-15-19(16-14-18)24(26,27)28/h8-16,21H,1H2,2-7H3
InChIKeyAVFYEPHZGKFTQR-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?
The IUPAC name of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane (CID 102010756) is dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane.
What is the SMILES notation for dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?
The canonical SMILES for dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane is C=C(B1OC(C)(C)C(C)(C)O1)C(c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?
The InChIKey is AVFYEPHZGKFTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BF3O2Si/c1-17(25-29-22(2,3)23(4,5)30-25)21(31(6,7)20-11-9-8-10-12-20)18-13-15-19(16-14-18)24(26,27)28/h8-16,21H,1H2,2-7H3.
What are the key properties of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?
dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane has a molecular weight of 446.39 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane is sourced from PubChem (CID 102010756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).