4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline

C14H22F3NOSi — CID 169251949

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C14H22F3NOSi/c1-13(2,3)20(4,5)19-12-8-6-11(7-9-12)18-10-14(15,16)17/h6-9,18H,10H2,1-5H3
InChIKeyMOZOUYPIAXQQGG-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.04
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline

4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 169251949) has the molecular formula C14H22F3NOSi and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline
PubChem CID169251949
Molecular FormulaC14H22F3NOSi
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C14H22F3NOSi/c1-13(2,3)20(4,5)19-12-8-6-11(7-9-12)18-10-14(15,16)17/h6-9,18H,10H2,1-5H3
InChIKeyMOZOUYPIAXQQGG-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline (CID 169251949) is 4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline is CC(C)(C)[Si](C)(C)Oc1ccc(NCC(F)(F)F)cc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is MOZOUYPIAXQQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NOSi/c1-13(2,3)20(4,5)19-12-8-6-11(7-9-12)18-10-14(15,16)17/h6-9,18H,10H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline?
4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 305.42 g/mol, XLogP of 5.04, 4 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-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 169251949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).