3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole

C10H12F3NOSi — CID 162574233

IUPAC3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole
SMILESC[Si]1(C)CNc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C10H12F3NOSi/c1-16(2)6-14-8-4-3-7(5-9(8)16)15-10(11,12)13/h3-5,14H,6H2,1-2H3
InChIKeyDEZYJVXNPHTEGW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.47
Rot. Bonds1

About 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole

3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole (PubChem CID 162574233) has the molecular formula C10H12F3NOSi and a molecular weight of 247.29 g/mol. Its IUPAC name is 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole.

Molecular Properties

Compound Name3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole
PubChem CID162574233
Molecular FormulaC10H12F3NOSi
Molecular Weight247.29 g/mol
Exact Mass247.06
IUPAC Name3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole
SMILESC[Si]1(C)CNc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C10H12F3NOSi/c1-16(2)6-14-8-4-3-7(5-9(8)16)15-10(11,12)13/h3-5,14H,6H2,1-2H3
InChIKeyDEZYJVXNPHTEGW-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole?
The IUPAC name of 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole (CID 162574233) is 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole.
What is the SMILES notation for 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole?
The canonical SMILES for 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole is C[Si]1(C)CNc2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole?
The InChIKey is DEZYJVXNPHTEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOSi/c1-16(2)6-14-8-4-3-7(5-9(8)16)15-10(11,12)13/h3-5,14H,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole?
3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole has a molecular weight of 247.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole is sourced from PubChem (CID 162574233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).