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

C12H20FNOSi — CID 140936489

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)cc1F
InChIInChI=1S/C12H20FNOSi/c1-12(2,3)16(4,5)15-11-7-6-9(14)8-10(11)13/h6-8H,14H2,1-5H3
InChIKeyXCZDDYDLXRFXLF-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.79
Rot. Bonds2

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

4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline (PubChem CID 140936489) has the molecular formula C12H20FNOSi and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline
PubChem CID140936489
Molecular FormulaC12H20FNOSi
Molecular Weight241.38 g/mol
Exact Mass241.13
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)cc1F
InChIInChI=1S/C12H20FNOSi/c1-12(2,3)16(4,5)15-11-7-6-9(14)8-10(11)13/h6-8H,14H2,1-5H3
InChIKeyXCZDDYDLXRFXLF-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-butyldimethylsilyl)oxy)aniline
CID 11715553
3-((Tert-butyldimethylsilyl)oxy)aniline
CID 14314782
4-Amino-3-fluorophenol
CID 2735919
Phenol, 4-amino-2-fluoro-
CID 2735918
2-[(Tert-butyldimethylsilyl)oxy]aniline
CID 20785772
Bis(p-aminophenoxy)dimethylsilane
CID 14249156
tert-Butyldimethyl(4-nitrophenoxy)silane
CID 532659
2-Trimethylsilyloxyaniline
CID 597274
Silanamine, 1,1,1-trimethyl-N-[4-[(trimethylsilyl)oxy]phenyl]-
CID 617129
Benzenamine, 2-[[tris(1-methylethyl)silyl]oxy]-
CID 11425586
2-Aminophenol, N,O-di(trimethylsilyl)-
CID 12491704
N-(4-Methoxyphenyl)-1,1,1-trimethylsilanamine
CID 13418069

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline (CID 140936489) is 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline is CC(C)(C)[Si](C)(C)Oc1ccc(N)cc1F.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline?
The InChIKey is XCZDDYDLXRFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNOSi/c1-12(2,3)16(4,5)15-11-7-6-9(14)8-10(11)13/h6-8H,14H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline?
4-[tert-butyl(dimethyl)silyl]oxy-3-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 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoroaniline is sourced from PubChem (CID 140936489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).