2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate

C10H15F3N2O3 — CID 61225725

IUPAC2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate
SMILESO=C(NCCC(=O)N1CCCC1)OCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-18-9(17)14-4-3-8(16)15-5-1-2-6-15/h1-7H2,(H,14,17)
InChIKeyRKJJQXNWZGIWGO-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.29
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate

2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate (PubChem CID 61225725) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate
PubChem CID61225725
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate
SMILESO=C(NCCC(=O)N1CCCC1)OCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-18-9(17)14-4-3-8(16)15-5-1-2-6-15/h1-7H2,(H,14,17)
InChIKeyRKJJQXNWZGIWGO-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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate (CID 61225725) is 2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate is O=C(NCCC(=O)N1CCCC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate?
The InChIKey is RKJJQXNWZGIWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)7-18-9(17)14-4-3-8(16)15-5-1-2-6-15/h1-7H2,(H,14,17).
What are the key properties of 2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate?
2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)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-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate is sourced from PubChem (CID 61225725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).