Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate

C21H31F4NO3Si — CID 67401396

IUPACbenzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC(C1(CCN(CC1)C(=O)OCC2=CC=CC=C2)F)C(F)(F)F
InChIInChI=1S/C21H31F4NO3Si/c1-4-30(5-2,6-3)29-18(21(23,24)25)20(22)12-14-26(15-13-20)19(27)28-16-17-10-8-7-9-11-17/h7-11,18H,4-6,12-16H2,1-3H3
InChIKeyXHZLZRNNMSOIAT-UHFFFAOYSA-N
MW449.60 g/mol
LogP—
Rot. Bonds9

About Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate

Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate (PubChem CID 67401396) has the molecular formula C21H31F4NO3Si and a molecular weight of 449.60 g/mol. Its IUPAC name is benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound NameBenzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
PubChem CID67401396
Molecular FormulaC21H31F4NO3Si
Molecular Weight449.60 g/mol
Exact Mass449.20
IUPAC Namebenzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC(C1(CCN(CC1)C(=O)OCC2=CC=CC=C2)F)C(F)(F)F
InChIInChI=1S/C21H31F4NO3Si/c1-4-30(5-2,6-3)29-18(21(23,24)25)20(22)12-14-26(15-13-20)19(27)28-16-17-10-8-7-9-11-17/h7-11,18H,4-6,12-16H2,1-3H3
InChIKeyXHZLZRNNMSOIAT-UHFFFAOYSA-N
XLogP—
TPSA38.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity535

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate?
The IUPAC name of Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate (CID 67401396) is benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate?
The canonical SMILES for Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate is CC[Si](CC)(CC)OC(C1(CCN(CC1)C(=O)OCC2=CC=CC=C2)F)C(F)(F)F.
What is the InChIKey of Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate?
The InChIKey is XHZLZRNNMSOIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F4NO3Si/c1-4-30(5-2,6-3)29-18(21(23,24)25)20(22)12-14-26(15-13-20)19(27)28-16-17-10-8-7-9-11-17/h7-11,18H,4-6,12-16H2,1-3H3.
What are the key properties of Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate?
Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate has a molecular weight of 449.60 g/mol, XLogP of not available, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 67401396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).