4-fluoro-5-methyl-2-trimethylsilyloxyaniline

C10H16FNOSi — CID 167728306

IUPAC4-fluoro-5-methyl-2-trimethylsilyloxyaniline
SMILESCc1cc(N)c(O[Si](C)(C)C)cc1F
InChIInChI=1S/C10H16FNOSi/c1-7-5-9(12)10(6-8(7)11)13-14(2,3)4/h5-6H,12H2,1-4H3
InChIKeyCQTSRXPMJKWDOC-UHFFFAOYSA-N
MW213.33 g/mol
LogP2.93
Rot. Bonds2

About 4-fluoro-5-methyl-2-trimethylsilyloxyaniline

4-fluoro-5-methyl-2-trimethylsilyloxyaniline (PubChem CID 167728306) has the molecular formula C10H16FNOSi and a molecular weight of 213.33 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2-trimethylsilyloxyaniline.

Molecular Properties

Compound Name4-fluoro-5-methyl-2-trimethylsilyloxyaniline
PubChem CID167728306
Molecular FormulaC10H16FNOSi
Molecular Weight213.33 g/mol
Exact Mass213.10
IUPAC Name4-fluoro-5-methyl-2-trimethylsilyloxyaniline
SMILESCc1cc(N)c(O[Si](C)(C)C)cc1F
InChIInChI=1S/C10H16FNOSi/c1-7-5-9(12)10(6-8(7)11)13-14(2,3)4/h5-6H,12H2,1-4H3
InChIKeyCQTSRXPMJKWDOC-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2-trimethylsilyloxyaniline?
The IUPAC name of 4-fluoro-5-methyl-2-trimethylsilyloxyaniline (CID 167728306) is 4-fluoro-5-methyl-2-trimethylsilyloxyaniline.
What is the SMILES notation for 4-fluoro-5-methyl-2-trimethylsilyloxyaniline?
The canonical SMILES for 4-fluoro-5-methyl-2-trimethylsilyloxyaniline is Cc1cc(N)c(O[Si](C)(C)C)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-2-trimethylsilyloxyaniline?
The InChIKey is CQTSRXPMJKWDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNOSi/c1-7-5-9(12)10(6-8(7)11)13-14(2,3)4/h5-6H,12H2,1-4H3.
What are the key properties of 4-fluoro-5-methyl-2-trimethylsilyloxyaniline?
4-fluoro-5-methyl-2-trimethylsilyloxyaniline has a molecular weight of 213.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2-trimethylsilyloxyaniline is sourced from PubChem (CID 167728306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).