tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane

C17H23BF3NSi — CID 162411387

IUPACtert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane
SMILESCC(C)(C)[Si](C)(C)N1C=CC=CB1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23BF3NSi/c1-16(2,3)23(4,5)22-13-7-6-12-18(22)15-10-8-14(9-11-15)17(19,20)21/h6-13H,1-5H3
InChIKeyUABRLCHBDQQVIS-UHFFFAOYSA-N
MW337.27 g/mol
LogP4.83
Rot. Bonds2

About tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane

tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane (PubChem CID 162411387) has the molecular formula C17H23BF3NSi and a molecular weight of 337.27 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane
PubChem CID162411387
Molecular FormulaC17H23BF3NSi
Molecular Weight337.27 g/mol
Exact Mass337.16
IUPAC Nametert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane
SMILESCC(C)(C)[Si](C)(C)N1C=CC=CB1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23BF3NSi/c1-16(2,3)23(4,5)22-13-7-6-12-18(22)15-10-8-14(9-11-15)17(19,20)21/h6-13H,1-5H3
InChIKeyUABRLCHBDQQVIS-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[2-methyl-3-(3,4,5-trifluorophenyl)azaborinin-1-yl]silane
CID 157806001
N-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]-N-ethylethanamine
CID 11219594
1-Ethyl-2-[4-(trifluoromethyl)phenyl]azaborinine
CID 102434820
Tert-butyl-[2-chloro-3-(3,4,5-trifluorophenyl)azaborinin-1-yl]-dimethylsilane
CID 122211913
Tert-butyl-dimethyl-[2-(2-phenylethynyl)azaborinin-1-yl]silane
CID 58120662
Tert-butyl-dimethyl-(2-phenylazaborinin-1-yl)silane
CID 69919534
CID 148840635
CID 148840635
Tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane
CID 152885915
CID 157467328
CID 157467328
CID 159020557
CID 159020557
CID 160223914
CID 160223914
1,2-Dimethyl-3-(3,4,5-trifluorophenyl)azaborinine
CID 162269597

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane (CID 162411387) is tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane is CC(C)(C)[Si](C)(C)N1C=CC=CB1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane?
The InChIKey is UABRLCHBDQQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BF3NSi/c1-16(2,3)23(4,5)22-13-7-6-12-18(22)15-10-8-14(9-11-15)17(19,20)21/h6-13H,1-5H3.
What are the key properties of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane?
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane has a molecular weight of 337.27 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane is sourced from PubChem (CID 162411387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).