2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline

C13H18Cl2F3NOSi — CID 140801951

IUPAC2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline
SMILESCC(CC(F)(F)F)(O[Si](C)(C)C)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2F3NOSi/c1-12(7-13(16,17)18,20-21(2,3)4)8-5-9(14)11(19)10(15)6-8/h5-6H,7,19H2,1-4H3
InChIKeyIFWKYVKJCJFLQA-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.59
Rot. Bonds4

About 2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline

2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline (PubChem CID 140801951) has the molecular formula C13H18Cl2F3NOSi and a molecular weight of 360.28 g/mol. Its IUPAC name is 2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline
PubChem CID140801951
Molecular FormulaC13H18Cl2F3NOSi
Molecular Weight360.28 g/mol
Exact Mass359.05
IUPAC Name2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline
SMILESCC(CC(F)(F)F)(O[Si](C)(C)C)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2F3NOSi/c1-12(7-13(16,17)18,20-21(2,3)4)8-5-9(14)11(19)10(15)6-8/h5-6H,7,19H2,1-4H3
InChIKeyIFWKYVKJCJFLQA-UHFFFAOYSA-N
XLogP5.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.59
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-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline (CID 140801951) is 2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline is CC(CC(F)(F)F)(O[Si](C)(C)C)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline?
The InChIKey is IFWKYVKJCJFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2F3NOSi/c1-12(7-13(16,17)18,20-21(2,3)4)8-5-9(14)11(19)10(15)6-8/h5-6H,7,19H2,1-4H3.
What are the key properties of 2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline?
2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline has a molecular weight of 360.28 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(4,4,4-trifluoro-2-trimethylsilyloxybutan-2-yl)aniline is sourced from PubChem (CID 140801951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).