2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine

C22H28F3NSi — CID 23584843

IUPAC2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine
SMILESCC(C)(C)[Si]1(C(C)(C)C)C(c2ccccc2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H28F3NSi/c1-20(2,3)27(21(4,5)6)19(16-10-8-7-9-11-16)26(27)18-14-12-17(13-15-18)22(23,24)25/h7-15,19H,1-6H3
InChIKeyXFVSIGDTIORTFR-UHFFFAOYSA-N
MW391.55 g/mol
LogP7.35
Rot. Bonds2

About 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine

2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine (PubChem CID 23584843) has the molecular formula C22H28F3NSi and a molecular weight of 391.55 g/mol. Its IUPAC name is 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine.

Molecular Properties

Compound Name2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine
PubChem CID23584843
Molecular FormulaC22H28F3NSi
Molecular Weight391.55 g/mol
Exact Mass391.19
IUPAC Name2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine
SMILESCC(C)(C)[Si]1(C(C)(C)C)C(c2ccccc2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H28F3NSi/c1-20(2,3)27(21(4,5)6)19(16-10-8-7-9-11-16)26(27)18-14-12-17(13-15-18)22(23,24)25/h7-15,19H,1-6H3
InChIKeyXFVSIGDTIORTFR-UHFFFAOYSA-N
XLogP7.35
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.55
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;bis(trifluoromethylbenzene)
CID 142912000
(5S)-5-phenyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydrotriazole
CID 139205001
(3aR,6S,6aS)-6a-methyl-6-phenyl-1-[4-(trifluoromethyl)phenyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole
CID 56953948
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
(1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol
CID 16663926
1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
CID 16719924
3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
CID 102441291
1-(4-tert-butylphenyl)-2-phenylaziridine
CID 24756001
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
(4R)-3-hexyl-4-phenyl-1-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-one
CID 53242355

Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine?
The IUPAC name of 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine (CID 23584843) is 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine.
What is the SMILES notation for 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine?
The canonical SMILES for 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine is CC(C)(C)[Si]1(C(C)(C)C)C(c2ccccc2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine?
The InChIKey is XFVSIGDTIORTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3NSi/c1-20(2,3)27(21(4,5)6)19(16-10-8-7-9-11-16)26(27)18-14-12-17(13-15-18)22(23,24)25/h7-15,19H,1-6H3.
What are the key properties of 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine?
2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine has a molecular weight of 391.55 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]azasiliridine is sourced from PubChem (CID 23584843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).