2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate

C11H15F3N2O5 — CID 122162813

IUPAC2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCN1C(=O)CCC1=O)OCC(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c12-11(13,14)7-21-10(19)15-3-5-20-6-4-16-8(17)1-2-9(16)18/h1-7H2,(H,15,19)
InChIKeyPLIWZFNAOXCNIF-UHFFFAOYSA-N
MW312.24 g/mol
LogP0.44
Rot. Bonds7

About 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate

2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate (PubChem CID 122162813) has the molecular formula C11H15F3N2O5 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate
PubChem CID122162813
Molecular FormulaC11H15F3N2O5
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC Name2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCN1C(=O)CCC1=O)OCC(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c12-11(13,14)7-21-10(19)15-3-5-20-6-4-16-8(17)1-2-9(16)18/h1-7H2,(H,15,19)
InChIKeyPLIWZFNAOXCNIF-UHFFFAOYSA-N
XLogP0.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate (CID 122162813) is 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate is O=C(NCCOCCN1C(=O)CCC1=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate?
The InChIKey is PLIWZFNAOXCNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O5/c12-11(13,14)7-21-10(19)15-3-5-20-6-4-16-8(17)1-2-9(16)18/h1-7H2,(H,15,19).
What are the key properties of 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate has a molecular weight of 312.24 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate is sourced from PubChem (CID 122162813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).