tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane

C12H18FNO3Si — CID 125116243

IUPACtert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H18FNO3Si/c1-12(2,3)18(4,5)17-11-8-9(14(15)16)6-7-10(11)13/h6-8H,1-5H3
InChIKeyLGTUGZYJHGUBHX-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.12
Rot. Bonds3

About tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane

tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane (PubChem CID 125116243) has the molecular formula C12H18FNO3Si and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
PubChem CID125116243
Molecular FormulaC12H18FNO3Si
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Nametert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H18FNO3Si/c1-12(2,3)18(4,5)17-11-8-9(14(15)16)6-7-10(11)13/h6-8H,1-5H3
InChIKeyLGTUGZYJHGUBHX-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

tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
CID 125116636
[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine
CID 167724908
tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
CID 90435244
3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline
CID 167728842
3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile
CID 167718613
tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane
CID 18942791
tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane
CID 91697441
1-fluoro-2-methoxy-4-nitrobenzene;2-fluoro-5-nitrophenol;iodomethane
CID 159872885
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
CID 58342218
tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
CID 167525353
tert-butyl-[(2-iodo-4-nitrophenyl)methoxy]-dimethylsilane
CID 162768339

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane (CID 125116243) is tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane?
The InChIKey is LGTUGZYJHGUBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3Si/c1-12(2,3)18(4,5)17-11-8-9(14(15)16)6-7-10(11)13/h6-8H,1-5H3.
What are the key properties of tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane?
tert-butyl-(2-fluoro-5-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-(2-fluoro-5-nitrophenoxy)-dimethylsilane is sourced from PubChem (CID 125116243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).