2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile

C11H13F2NOSi — CID 18463714

IUPAC2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NOSi/c1-16(2,3)15-11(7-14)8-4-5-9(12)10(13)6-8/h4-6,11H,1-3H3
InChIKeyZAXNXBJYTHDLNG-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.38
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile

2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 18463714) has the molecular formula C11H13F2NOSi and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID18463714
Molecular FormulaC11H13F2NOSi
Molecular Weight241.31 g/mol
Exact Mass241.07
IUPAC Name2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NOSi/c1-16(2,3)15-11(7-14)8-4-5-9(12)10(13)6-8/h4-6,11H,1-3H3
InChIKeyZAXNXBJYTHDLNG-UHFFFAOYSA-N
XLogP3.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 10776410
2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 13439664
4-[(R)-cyano(trimethylsilyloxy)methyl]benzonitrile
CID 10977294
2-quinolin-6-yl-2-trimethylsilyloxyacetonitrile
CID 63970187
(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 10935387
1-(3,4-difluorophenyl)-1-trimethylsilyloxypropan-2-amine;hydrochloride
CID 112548417
3-(3,4-difluorophenyl)-3-hydroxy-2-methylpropanenitrile
CID 79137149
2-(4-phenylmethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 15327372
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
2-(4-fluoro-3-methylphenyl)-2-(3-hydroxypropoxy)acetonitrile
CID 103376524
2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile
CID 50878554
2-(2,4-dihydroxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 134884261

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile (CID 18463714) is 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is ZAXNXBJYTHDLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOSi/c1-16(2,3)15-11(7-14)8-4-5-9(12)10(13)6-8/h4-6,11H,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile?
2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 241.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 18463714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).