2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile

C12H14F3NOSi — CID 11818146

IUPAC2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NOSi/c1-18(2,3)17-11(8-16)9-4-6-10(7-5-9)12(13,14)15/h4-7,11H,1-3H3
InChIKeyYSRGJKIPSNKTLK-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.12
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile

2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile (PubChem CID 11818146) has the molecular formula C12H14F3NOSi and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
PubChem CID11818146
Molecular FormulaC12H14F3NOSi
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NOSi/c1-18(2,3)17-11(8-16)9-4-6-10(7-5-9)12(13,14)15/h4-7,11H,1-3H3
InChIKeyYSRGJKIPSNKTLK-UHFFFAOYSA-N
XLogP4.12
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile (CID 11818146) is 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile?
The InChIKey is YSRGJKIPSNKTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOSi/c1-18(2,3)17-11(8-16)9-4-6-10(7-5-9)12(13,14)15/h4-7,11H,1-3H3.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile?
2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile has a molecular weight of 273.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 11818146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).