3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline

C12H20FNOSi — CID 167728842

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)Oc1cc(N)ccc1F
InChIInChI=1S/C12H20FNOSi/c1-12(2,3)16(4,5)15-11-8-9(14)6-7-10(11)13/h6-8H,14H2,1-5H3
InChIKeyZDSRSJOACWGZOA-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.79
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline

3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline (PubChem CID 167728842) has the molecular formula C12H20FNOSi and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline
PubChem CID167728842
Molecular FormulaC12H20FNOSi
Molecular Weight241.38 g/mol
Exact Mass241.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)Oc1cc(N)ccc1F
InChIInChI=1S/C12H20FNOSi/c1-12(2,3)16(4,5)15-11-8-9(14)6-7-10(11)13/h6-8H,14H2,1-5H3
InChIKeyZDSRSJOACWGZOA-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline
CID 167742653
3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile
CID 167718613
tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane
CID 91697441
tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
CID 125116243
tert-butyl-(2,3-difluorophenoxy)-dimethylsilane
CID 68643642
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline
CID 169435458
[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid
CID 167729414

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline (CID 167728842) is 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline is CC(C)(C)[Si](C)(C)Oc1cc(N)ccc1F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline?
The InChIKey is ZDSRSJOACWGZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNOSi/c1-12(2,3)16(4,5)15-11-8-9(14)6-7-10(11)13/h6-8H,14H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline?
3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline has a molecular weight of 241.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline is sourced from PubChem (CID 167728842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).