2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate

C13H13F3N2O3 — CID 65173490

IUPAC2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)OCC(F)(F)F
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)8-21-12(20)17-9-3-5-10(6-4-9)18-7-1-2-11(18)19/h3-6H,1-2,7-8H2,(H,17,20)
InChIKeySPJBJOOZUZLSHP-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.92
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate

2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate (PubChem CID 65173490) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
PubChem CID65173490
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)OCC(F)(F)F
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)8-21-12(20)17-9-3-5-10(6-4-9)18-7-1-2-11(18)19/h3-6H,1-2,7-8H2,(H,17,20)
InChIKeySPJBJOOZUZLSHP-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-(2-aminoethoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79474170
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55816777
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119688467
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate (CID 65173490) is 2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate is O=C(Nc1ccc(N2CCCC2=O)cc1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate?
The InChIKey is SPJBJOOZUZLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)8-21-12(20)17-9-3-5-10(6-4-9)18-7-1-2-11(18)19/h3-6H,1-2,7-8H2,(H,17,20).
What are the key properties of 2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate?
2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate has a molecular weight of 302.25 g/mol, XLogP of 2.92, 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-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate is sourced from PubChem (CID 65173490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).