2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate

C12H19F3N2O3 — CID 167481519

IUPAC2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
SMILESCC1CN(C(=O)CNC(=O)OCC(F)(F)F)CC1(C)C
InChIInChI=1S/C12H19F3N2O3/c1-8-5-17(6-11(8,2)3)9(18)4-16-10(19)20-7-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,19)
InChIKeyKZEGGACYFUBUOZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.78
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate (PubChem CID 167481519) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
PubChem CID167481519
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
SMILESCC1CN(C(=O)CNC(=O)OCC(F)(F)F)CC1(C)C
InChIInChI=1S/C12H19F3N2O3/c1-8-5-17(6-11(8,2)3)9(18)4-16-10(19)20-7-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,19)
InChIKeyKZEGGACYFUBUOZ-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate (CID 167481519) is 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate is CC1CN(C(=O)CNC(=O)OCC(F)(F)F)CC1(C)C.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
The InChIKey is KZEGGACYFUBUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-8-5-17(6-11(8,2)3)9(18)4-16-10(19)20-7-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate has a molecular weight of 296.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 167481519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).