2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline

C11H14Cl2F3NOSi — CID 175052292

IUPAC2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline
SMILESC[Si](C)(C)OC(c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H14Cl2F3NOSi/c1-19(2,3)18-10(11(14,15)16)6-4-7(12)9(17)8(13)5-6/h4-5,10H,17H2,1-3H3
InChIKeyJXJXLXIVYPFCPC-UHFFFAOYSA-N
MW332.23 g/mol
LogP5.03
Rot. Bonds3

About 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline

2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline (PubChem CID 175052292) has the molecular formula C11H14Cl2F3NOSi and a molecular weight of 332.23 g/mol. Its IUPAC name is 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline
PubChem CID175052292
Molecular FormulaC11H14Cl2F3NOSi
Molecular Weight332.23 g/mol
Exact Mass331.02
IUPAC Name2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline
SMILESC[Si](C)(C)OC(c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H14Cl2F3NOSi/c1-19(2,3)18-10(11(14,15)16)6-4-7(12)9(17)8(13)5-6/h4-5,10H,17H2,1-3H3
InChIKeyJXJXLXIVYPFCPC-UHFFFAOYSA-N
XLogP5.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 55.03
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 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline?
The IUPAC name of 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline (CID 175052292) is 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline?
The canonical SMILES for 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline is C[Si](C)(C)OC(c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline?
The InChIKey is JXJXLXIVYPFCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2F3NOSi/c1-19(2,3)18-10(11(14,15)16)6-4-7(12)9(17)8(13)5-6/h4-5,10H,17H2,1-3H3.
What are the key properties of 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline?
2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline has a molecular weight of 332.23 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)aniline is sourced from PubChem (CID 175052292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).