tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane

C23H31F2NOSi — CID 166068280

IUPACtert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCCN(CC(F)F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31F2NOSi/c1-23(2,3)28(20-12-6-4-7-13-20,21-14-8-5-9-15-21)27-19-11-10-16-26(17-19)18-22(24)25/h4-9,12-15,19,22H,10-11,16-18H2,1-3H3
InChIKeyDQZSBJNSSXELKT-UHFFFAOYSA-N
MW403.59 g/mol
LogP4.29
Rot. Bonds6

About tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane

tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane (PubChem CID 166068280) has the molecular formula C23H31F2NOSi and a molecular weight of 403.59 g/mol. Its IUPAC name is tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane
PubChem CID166068280
Molecular FormulaC23H31F2NOSi
Molecular Weight403.59 g/mol
Exact Mass403.21
IUPAC Nametert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCCN(CC(F)F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31F2NOSi/c1-23(2,3)28(20-12-6-4-7-13-20,21-14-8-5-9-15-21)27-19-11-10-16-26(17-19)18-22(24)25/h4-9,12-15,19,22H,10-11,16-18H2,1-3H3
InChIKeyDQZSBJNSSXELKT-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 54.29
H-Bond Donors ≤ 50
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 tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane (CID 166068280) is tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane is CC(C)(C)[Si](OC1CCCN(CC(F)F)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane?
The InChIKey is DQZSBJNSSXELKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2NOSi/c1-23(2,3)28(20-12-6-4-7-13-20,21-14-8-5-9-15-21)27-19-11-10-16-26(17-19)18-22(24)25/h4-9,12-15,19,22H,10-11,16-18H2,1-3H3.
What are the key properties of tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane?
tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane has a molecular weight of 403.59 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 166068280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).