2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride

C22H32ClF3N2OSi — CID 169005655

IUPAC2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CN)C(F)(F)F.Cl
InChIInChI=1S/C22H31F3N2OSi.ClH/c1-21(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-16-15-27(4)20(17-26)22(23,24)25;/h5-14,20H,15-17,26H2,1-4H3;1H
InChIKeyPZGFSVAYKAOESC-UHFFFAOYSA-N
MW461.04 g/mol
LogP3.81
Rot. Bonds8

About 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride

2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride (PubChem CID 169005655) has the molecular formula C22H32ClF3N2OSi and a molecular weight of 461.04 g/mol. Its IUPAC name is 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride
PubChem CID169005655
Molecular FormulaC22H32ClF3N2OSi
Molecular Weight461.04 g/mol
Exact Mass460.19
IUPAC Name2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CN)C(F)(F)F.Cl
InChIInChI=1S/C22H31F3N2OSi.ClH/c1-21(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-16-15-27(4)20(17-26)22(23,24)25;/h5-14,20H,15-17,26H2,1-4H3;1H
InChIKeyPZGFSVAYKAOESC-UHFFFAOYSA-N
XLogP3.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.04
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride (CID 169005655) is 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride is CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CN)C(F)(F)F.Cl.
What is the InChIKey of 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride?
The InChIKey is PZGFSVAYKAOESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2OSi.ClH/c1-21(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-16-15-27(4)20(17-26)22(23,24)25;/h5-14,20H,15-17,26H2,1-4H3;1H.
What are the key properties of 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride?
2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride has a molecular weight of 461.04 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 169005655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).