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

C23H30BF3O2Si — CID 134904582

IUPACdimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane
SMILESCC1(C)OB(C(Cc2ccc(C(F)(F)F)cc2)[Si](C)(C)c2ccccc2)OC1(C)C
InChIInChI=1S/C23H30BF3O2Si/c1-21(2)22(3,4)29-24(28-21)20(30(5,6)19-10-8-7-9-11-19)16-17-12-14-18(15-13-17)23(25,26)27/h7-15,20H,16H2,1-6H3
InChIKeyRXIADABHCJRBNR-UHFFFAOYSA-N
MW434.38 g/mol
LogP5.87
Rot. Bonds5

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

dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane (PubChem CID 134904582) has the molecular formula C23H30BF3O2Si and a molecular weight of 434.38 g/mol. Its IUPAC name is dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane
PubChem CID134904582
Molecular FormulaC23H30BF3O2Si
Molecular Weight434.38 g/mol
Exact Mass434.21
IUPAC Namedimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane
SMILESCC1(C)OB(C(Cc2ccc(C(F)(F)F)cc2)[Si](C)(C)c2ccccc2)OC1(C)C
InChIInChI=1S/C23H30BF3O2Si/c1-21(2)22(3,4)29-24(28-21)20(30(5,6)19-10-8-7-9-11-19)16-17-12-14-18(15-13-17)23(25,26)27/h7-15,20H,16H2,1-6H3
InChIKeyRXIADABHCJRBNR-UHFFFAOYSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.38
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-(3-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane
CID 71561091
[(1R)-2-(2-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-dimethyl-phenylsilane
CID 135063391
[dimethyl(phenyl)silyl]-[4-(trifluoromethyl)phenyl]methanol
CID 56933855
(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 134939690
dimethyl-phenyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
CID 86031671
(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 16757036
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 170815876
4,4,5,5-tetramethyl-2-(3-methyl-1-phenylbutan-2-yl)-1,3,2-dioxaborolane
CID 102424463
(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one
CID 135060755
2-(1-isocyano-2-phenylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139593259
dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437
methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
CID 154719088

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane?
The IUPAC name of dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane (CID 134904582) is dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane.
What is the SMILES notation for dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane?
The canonical SMILES for dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane is CC1(C)OB(C(Cc2ccc(C(F)(F)F)cc2)[Si](C)(C)c2ccccc2)OC1(C)C.
What is the InChIKey of dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane?
The InChIKey is RXIADABHCJRBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BF3O2Si/c1-21(2)22(3,4)29-24(28-21)20(30(5,6)19-10-8-7-9-11-19)16-17-12-14-18(15-13-17)23(25,26)27/h7-15,20H,16H2,1-6H3.
What are the key properties of dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane?
dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane has a molecular weight of 434.38 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane is sourced from PubChem (CID 134904582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).