2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile

C17H17F2NOSi — CID 169186371

IUPAC2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NOSi/c1-22(2,3)21-17(12-20,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-11H,1-3H3
InChIKeyBBFCXTMYRQBFCY-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.58
Rot. Bonds4

About 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile

2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 169186371) has the molecular formula C17H17F2NOSi and a molecular weight of 317.41 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID169186371
Molecular FormulaC17H17F2NOSi
Molecular Weight317.41 g/mol
Exact Mass317.10
IUPAC Name2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NOSi/c1-22(2,3)21-17(12-20,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-11H,1-3H3
InChIKeyBBFCXTMYRQBFCY-UHFFFAOYSA-N
XLogP4.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.58
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 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile (CID 169186371) is 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is BBFCXTMYRQBFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NOSi/c1-22(2,3)21-17(12-20,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-11H,1-3H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 317.41 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 169186371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).