tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane

C12H18FNO3Si — CID 90435244

IUPACtert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H18FNO3Si/c1-12(2,3)18(4,5)17-9-6-7-11(14(15)16)10(13)8-9/h6-8H,1-5H3
InChIKeyXOOSZNMCPXBIJG-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.12
Rot. Bonds3

About tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane

tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane (PubChem CID 90435244) has the molecular formula C12H18FNO3Si and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
PubChem CID90435244
Molecular FormulaC12H18FNO3Si
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Nametert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C12H18FNO3Si/c1-12(2,3)18(4,5)17-9-6-7-11(14(15)16)10(13)8-9/h6-8H,1-5H3
InChIKeyXOOSZNMCPXBIJG-UHFFFAOYSA-N
XLogP4.12
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane
CID 150996443
tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
CID 125116243
4-(3-bromo-2,2-dimethylpropoxy)-2-fluoro-1-nitrobenzene
CID 64995464
(3-fluoro-4-nitrophenyl)-trimethylsilane
CID 59140187
tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
CID 178155414
4-(3-fluoro-4-nitrophenoxy)-2,2-dimethylbutanoic acid
CID 65247608
2-fluoro-4-(4-methoxybutoxy)-1-nitrobenzene
CID 115777007
tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane
CID 125115821
2-[(3-fluoro-4-nitrophenoxy)methyl]-2-methyloxirane
CID 66335072
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
4-tert-butyl-3-(3-fluoro-4-nitrophenoxy)pyrazole-1-carboxylic acid
CID 175402094
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane (CID 90435244) is tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane?
The InChIKey is XOOSZNMCPXBIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3Si/c1-12(2,3)18(4,5)17-9-6-7-11(14(15)16)10(13)8-9/h6-8H,1-5H3.
What are the key properties of tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane?
tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane has a molecular weight of 271.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane is sourced from PubChem (CID 90435244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).