tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane

C15H21F3N2OSi — CID 13063205

IUPACtert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C15H21F3N2OSi/c1-13(2,3)22(4,5)21-10-11-6-8-12(9-7-11)14(19-20-14)15(16,17)18/h6-9H,10H2,1-5H3
InChIKeyKIPAZKFPWLONFN-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.39
Rot. Bonds4

About tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane

tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane (PubChem CID 13063205) has the molecular formula C15H21F3N2OSi and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane
PubChem CID13063205
Molecular FormulaC15H21F3N2OSi
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Nametert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C15H21F3N2OSi/c1-13(2,3)22(4,5)21-10-11-6-8-12(9-7-11)14(19-20-14)15(16,17)18/h6-9H,10H2,1-5H3
InChIKeyKIPAZKFPWLONFN-UHFFFAOYSA-N
XLogP5.39
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane (CID 13063205) is tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane is CC(C)(C)[Si](C)(C)OCc1ccc(C2(C(F)(F)F)N=N2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane?
The InChIKey is KIPAZKFPWLONFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2OSi/c1-13(2,3)22(4,5)21-10-11-6-8-12(9-7-11)14(19-20-14)15(16,17)18/h6-9H,10H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane?
tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane has a molecular weight of 330.43 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]silane is sourced from PubChem (CID 13063205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).