tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane

C17H35F3N2OSi — CID 131742896

IUPACtri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane
SMILESCC(C)[Si](OCCN1CCN(CC(F)(F)F)CC1)(C(C)C)C(C)C
InChIInChI=1S/C17H35F3N2OSi/c1-14(2)24(15(3)4,16(5)6)23-12-11-21-7-9-22(10-8-21)13-17(18,19)20/h14-16H,7-13H2,1-6H3
InChIKeyCGDVFONEDVXUFK-UHFFFAOYSA-N
MW368.56 g/mol
LogP4.36
Rot. Bonds8

About tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane

tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane (PubChem CID 131742896) has the molecular formula C17H35F3N2OSi and a molecular weight of 368.56 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane
PubChem CID131742896
Molecular FormulaC17H35F3N2OSi
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Nametri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane
SMILESCC(C)[Si](OCCN1CCN(CC(F)(F)F)CC1)(C(C)C)C(C)C
InChIInChI=1S/C17H35F3N2OSi/c1-14(2)24(15(3)4,16(5)6)23-12-11-21-7-9-22(10-8-21)13-17(18,19)20/h14-16H,7-13H2,1-6H3
InChIKeyCGDVFONEDVXUFK-UHFFFAOYSA-N
XLogP4.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
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 tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane?
The IUPAC name of tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane (CID 131742896) is tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane is CC(C)[Si](OCCN1CCN(CC(F)(F)F)CC1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane?
The InChIKey is CGDVFONEDVXUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35F3N2OSi/c1-14(2)24(15(3)4,16(5)6)23-12-11-21-7-9-22(10-8-21)13-17(18,19)20/h14-16H,7-13H2,1-6H3.
What are the key properties of tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane?
tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane has a molecular weight of 368.56 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]silane is sourced from PubChem (CID 131742896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).