2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile

C18H18F4N2OSi — CID 123512563

IUPAC2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile
SMILESCc1ccc(C(F)(F)C(C#N)(O[Si](C)(C)C)c2ccc(F)cc2F)nc1
InChIInChI=1S/C18H18F4N2OSi/c1-12-5-8-16(24-10-12)18(21,22)17(11-23,25-26(2,3)4)14-7-6-13(19)9-15(14)20/h5-10H,1-4H3
InChIKeyROYITAOFOFQDNA-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.03
Rot. Bonds5

About 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile

2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile (PubChem CID 123512563) has the molecular formula C18H18F4N2OSi and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile
PubChem CID123512563
Molecular FormulaC18H18F4N2OSi
Molecular Weight382.43 g/mol
Exact Mass382.11
IUPAC Name2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile
SMILESCc1ccc(C(F)(F)C(C#N)(O[Si](C)(C)C)c2ccc(F)cc2F)nc1
InChIInChI=1S/C18H18F4N2OSi/c1-12-5-8-16(24-10-12)18(21,22)17(11-23,25-26(2,3)4)14-7-6-13(19)9-15(14)20/h5-10H,1-4H3
InChIKeyROYITAOFOFQDNA-UHFFFAOYSA-N
XLogP5.03
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-(Ethyl(pyridin-2-ylmethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11632271
2-[4-[Butyl(pyridine-2-ylmethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 16049407
3-Fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 56682374
2-(2-Pyridyldifluoromethyl)-2-(2,4-difluorophenyl)oxirane
CID 10850521
2-(2,2,2-Trifluoro-1-(trifluoromethyl)-1-((trimethylsilyl)oxy)ethyl)pyridine
CID 12179444
Trimethyl-(2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethoxy)silane
CID 11163162
1-(p-Fluorophenyl)-2-(alpha-pyridyl)ethanol
CID 129833050
(2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol
CID 138963723
1,1,1,3,3,3-Hexafluoro-2-(phenyl(2-pyridinyl)methyl)-2-propanol
CID 294158
1-[(3-Fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]-4-piperidinol
CID 56914563
Trimethyl-(2,2,2-trifluoro-1,1-dipyridin-2-ylethoxy)silane
CID 11484203
3-([(1,1,3,3-Tetramethyl-3-([2-(trifluoromethyl)benzyl]oxy)disiloxanyl)oxy]methyl)pyridine
CID 91700187

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile (CID 123512563) is 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile is Cc1ccc(C(F)(F)C(C#N)(O[Si](C)(C)C)c2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile?
The InChIKey is ROYITAOFOFQDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2OSi/c1-12-5-8-16(24-10-12)18(21,22)17(11-23,25-26(2,3)4)14-7-6-13(19)9-15(14)20/h5-10H,1-4H3.
What are the key properties of 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile?
2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile has a molecular weight of 382.43 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 123512563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).