2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate

C10H15F3N2O3 — CID 61068989

IUPAC2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
SMILESCC(CN1CCCC1=O)NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-7(5-15-4-2-3-8(15)16)14-9(17)18-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeyNRQYIGUJVHHHRE-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.29
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate

2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate (PubChem CID 61068989) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
PubChem CID61068989
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
SMILESCC(CN1CCCC1=O)NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-7(5-15-4-2-3-8(15)16)14-9(17)18-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeyNRQYIGUJVHHHRE-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate (CID 61068989) is 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate is CC(CN1CCCC1=O)NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
The InChIKey is NRQYIGUJVHHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-7(5-15-4-2-3-8(15)16)14-9(17)18-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate has a molecular weight of 268.23 g/mol, XLogP of 1.29, 4 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-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 61068989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).