[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane

C24H22F4N2OSi — CID 149258918

IUPAC[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane
SMILES[C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C24H22F4N2OSi/c1-16-6-8-17(9-7-16)18-10-13-22(30-15-18)23(27,28)24(29-2,31-32(3,4)5)20-12-11-19(25)14-21(20)26/h6-15H,1,3-5H3/t24-/m1/s1
InChIKeyXOWAOYSBAYXNQB-XMMPIXPASA-N
MW458.53 g/mol
LogP7.05
Rot. Bonds6

About [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane

[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane (PubChem CID 149258918) has the molecular formula C24H22F4N2OSi and a molecular weight of 458.53 g/mol. Its IUPAC name is [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane
PubChem CID149258918
Molecular FormulaC24H22F4N2OSi
Molecular Weight458.53 g/mol
Exact Mass458.14
IUPAC Name[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane
SMILES[C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C24H22F4N2OSi/c1-16-6-8-17(9-7-16)18-10-13-22(30-15-18)23(27,28)24(29-2,31-32(3,4)5)20-12-11-19(25)14-21(20)26/h6-15H,1,3-5H3/t24-/m1/s1
InChIKeyXOWAOYSBAYXNQB-XMMPIXPASA-N
XLogP7.05
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine
CID 2741192
(4-Propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56665872
Pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol
CID 56669287
3-Fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 56682374
[4-(Dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56682754
(2R)-2-[4-[1-[cyclopropyl-(4-pyridin-2-ylcyclohexyl)amino]ethenyl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 70683409
(2-Fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56682630
1,2-Diphenyl-1-(pyridin-2-yl)pentan-2-ol
CID 236209
Bis(4-fluorophenyl)-pyridin-2-ylmethanol
CID 102183289
Tert-butyl-[3-[4-(4-fluorophenyl)-2-pyridinyl]phenoxy]-dimethylsilane
CID 102444230
Trimethyl-(2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethoxy)silane
CID 11163162

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane?
The IUPAC name of [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane (CID 149258918) is [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane.
What is the SMILES notation for [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane?
The canonical SMILES for [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane is [C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.
What is the InChIKey of [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane?
The InChIKey is XOWAOYSBAYXNQB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22F4N2OSi/c1-16-6-8-17(9-7-16)18-10-13-22(30-15-18)23(27,28)24(29-2,31-32(3,4)5)20-12-11-19(25)14-21(20)26/h6-15H,1,3-5H3/t24-/m1/s1.
What are the key properties of [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane?
[(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane has a molecular weight of 458.53 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane is sourced from PubChem (CID 149258918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).