4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline

C14H19F6NOSi — CID 169435458

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C14H19F6NOSi/c1-12(2,3)23(4,5)22-11-7-8(13(15,16)17)10(21)6-9(11)14(18,19)20/h6-7H,21H2,1-5H3
InChIKeyBLFYYFIPYJOSOM-UHFFFAOYSA-N
MW359.39 g/mol
LogP5.69
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline

4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline (PubChem CID 169435458) has the molecular formula C14H19F6NOSi and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline
PubChem CID169435458
Molecular FormulaC14H19F6NOSi
Molecular Weight359.39 g/mol
Exact Mass359.11
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C14H19F6NOSi/c1-12(2,3)23(4,5)22-11-7-8(13(15,16)17)10(21)6-9(11)14(18,19)20/h6-7H,21H2,1-5H3
InChIKeyBLFYYFIPYJOSOM-UHFFFAOYSA-N
XLogP5.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 55.69
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'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline
CID 167742653
2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine
CID 162540560
2-methoxy-5-(trifluoromethyl)benzene-1,4-diamine
CID 162535431
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline
CID 167728842
4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
CID 167739749
4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline
CID 167731029
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
tert-butyl-[3-chloro-4-fluoro-5-(trifluoromethyl)phenoxy]-dimethylsilane
CID 125115885
4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-amine
CID 58260729
4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
CID 167726664
2-bromo-4-(trifluoromethoxy)-5-(trifluoromethyl)aniline
CID 119024432

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline (CID 169435458) is 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline is CC(C)(C)[Si](C)(C)Oc1cc(C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline?
The InChIKey is BLFYYFIPYJOSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F6NOSi/c1-12(2,3)23(4,5)22-11-7-8(13(15,16)17)10(21)6-9(11)14(18,19)20/h6-7H,21H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline?
4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline has a molecular weight of 359.39 g/mol, XLogP of 5.69, 2 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-2,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 169435458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).