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

C14H22F3NOSi — CID 163375991

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)c(CC(F)(F)F)c1
InChIInChI=1S/C14H22F3NOSi/c1-13(2,3)20(4,5)19-11-6-7-12(18)10(8-11)9-14(15,16)17/h6-8H,9,18H2,1-5H3
InChIKeyYCCOSKCZECOYIE-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.76
Rot. Bonds3

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

4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline (PubChem CID 163375991) has the molecular formula C14H22F3NOSi and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline
PubChem CID163375991
Molecular FormulaC14H22F3NOSi
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)c(CC(F)(F)F)c1
InChIInChI=1S/C14H22F3NOSi/c1-13(2,3)20(4,5)19-11-6-7-12(18)10(8-11)9-14(15,16)17/h6-8H,9,18H2,1-5H3
InChIKeyYCCOSKCZECOYIE-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.76
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-butyl(dimethyl)silyl]oxy-2-methoxyaniline
CID 167726664
4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylaniline
CID 163374975
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 123547238
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
CID 175152418
[4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane
CID 167714340
tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
CID 59440862
bis(2,2,2-trifluoroethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71580250
[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone
CID 68830331
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methylaniline
CID 69452895
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine
CID 10801667

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline (CID 163375991) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline is CC(C)(C)[Si](C)(C)Oc1ccc(N)c(CC(F)(F)F)c1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline?
The InChIKey is YCCOSKCZECOYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NOSi/c1-13(2,3)20(4,5)19-11-6-7-12(18)10(8-11)9-14(15,16)17/h6-8H,9,18H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline?
4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline has a molecular weight of 305.42 g/mol, XLogP of 4.76, 3 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-2-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 163375991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).