(2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile

C12H14F3NOSi — CID 24763752

IUPAC(2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESC[C@](C#N)(O[Si](C)(C)C)c1cc(F)c(F)cc1F
InChIInChI=1S/C12H14F3NOSi/c1-12(7-16,17-18(2,3)4)8-5-10(14)11(15)6-9(8)13/h5-6H,1-4H3/t12-/m1/s1
InChIKeyVGKPFFTWZKKJCY-GFCCVEGCSA-N
MW273.33 g/mol
LogP3.69
Rot. Bonds3

About (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile

(2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile (PubChem CID 24763752) has the molecular formula C12H14F3NOSi and a molecular weight of 273.33 g/mol. Its IUPAC name is (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name(2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile
PubChem CID24763752
Molecular FormulaC12H14F3NOSi
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name(2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESC[C@](C#N)(O[Si](C)(C)C)c1cc(F)c(F)cc1F
InChIInChI=1S/C12H14F3NOSi/c1-12(7-16,17-18(2,3)4)8-5-10(14)11(15)6-9(8)13/h5-6H,1-4H3/t12-/m1/s1
InChIKeyVGKPFFTWZKKJCY-GFCCVEGCSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552
2-[4-(Trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
CID 11818146
2-Fluorophenyl(trimethylsilyloxy)acetonitrile
CID 11955040
3-Phenyl-3-trimethylsilyloxypropanenitrile
CID 10987773
3,4,5-Trifluorobenzyl alcohol, dimethil(3-cyanopropylsilyl) ether
CID 91719188
2,5-Difluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91733142
2,4,5-Trifluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91735452
2,3,6-Trifluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91735552
2,3,4,5-Tetrafluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91737365
2-(2-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11149090

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile?
The IUPAC name of (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile (CID 24763752) is (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile is C[C@](C#N)(O[Si](C)(C)C)c1cc(F)c(F)cc1F.
What is the InChIKey of (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile?
The InChIKey is VGKPFFTWZKKJCY-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14F3NOSi/c1-12(7-16,17-18(2,3)4)8-5-10(14)11(15)6-9(8)13/h5-6H,1-4H3/t12-/m1/s1.
What are the key properties of (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile?
(2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile has a molecular weight of 273.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4,5-trifluorophenyl)-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 24763752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).