tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane

C14H22F2N2O4Si — CID 146968088

IUPACtert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)COc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H22F2N2O4Si/c1-13(2,3)23(4,5)22-10-14(15,16)9-21-12-7-6-11(8-17-12)18(19)20/h6-8H,9-10H2,1-5H3
InChIKeyALWZMDKYUDOAQN-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.03
Rot. Bonds7

About tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane

tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane (PubChem CID 146968088) has the molecular formula C14H22F2N2O4Si and a molecular weight of 348.42 g/mol. Its IUPAC name is tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane
PubChem CID146968088
Molecular FormulaC14H22F2N2O4Si
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Nametert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)COc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H22F2N2O4Si/c1-13(2,3)23(4,5)22-10-14(15,16)9-21-12-7-6-11(8-17-12)18(19)20/h6-8H,9-10H2,1-5H3
InChIKeyALWZMDKYUDOAQN-UHFFFAOYSA-N
XLogP4.03
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane 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

tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
CID 58994475
tert-butyl-dimethyl-[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propoxy]silane;3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propan-1-ol
CID 160637789
2-(2-azidoethoxy)-5-nitropyridine
CID 59667929
tert-butyl-[(2-iodo-4-nitrophenyl)methoxy]-dimethylsilane
CID 162768339
[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] (4-nitrophenyl) carbonate
CID 54541945
N-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropyl]-6-chloro-5-nitropyrimidin-4-amine
CID 152535511
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
CID 58342218
2-[4-[(5-nitro-2-pyridinyl)oxy]phenoxy]-5-(trifluoromethyl)pyridine
CID 2741453
2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine
CID 20535520
tert-butyl-dimethyl-[(E)-3-(4-nitrophenyl)prop-2-enoxy]silane
CID 177135121
[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
CID 167525353
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane (CID 146968088) is tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(F)(F)COc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane?
The InChIKey is ALWZMDKYUDOAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O4Si/c1-13(2,3)23(4,5)22-10-14(15,16)9-21-12-7-6-11(8-17-12)18(19)20/h6-8H,9-10H2,1-5H3.
What are the key properties of tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane?
tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane has a molecular weight of 348.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2,2-difluoro-3-[(5-nitro-2-pyridinyl)oxy]propoxy]-dimethylsilane is sourced from PubChem (CID 146968088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).