2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate

C12H21F3N2O2 — CID 65168543

IUPAC2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
SMILESCC1(C)CC(NC(=O)OCC(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C12H21F3N2O2/c1-10(2)5-8(6-11(3,4)17-10)16-9(18)19-7-12(13,14)15/h8,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyIPEZJXLKFSXTER-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.58
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate

2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate (PubChem CID 65168543) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
PubChem CID65168543
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
SMILESCC1(C)CC(NC(=O)OCC(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C12H21F3N2O2/c1-10(2)5-8(6-11(3,4)17-10)16-9(18)19-7-12(13,14)15/h8,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyIPEZJXLKFSXTER-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate (CID 65168543) is 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate is CC1(C)CC(NC(=O)OCC(F)(F)F)CC(C)(C)N1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The InChIKey is IPEZJXLKFSXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-10(2)5-8(6-11(3,4)17-10)16-9(18)19-7-12(13,14)15/h8,17H,5-7H2,1-4H3,(H,16,18).
What are the key properties of 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate has a molecular weight of 282.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate is sourced from PubChem (CID 65168543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).