2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate

Name: 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₃F₃N₂O₃ — CID 51109177

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate

SMILESCc1cc(C)c(CNC(=O)OCC(F)(F)F)c(=O)[nH]1

InChIInChI=1S/C11H13F3N2O3/c1-6-3-7(2)16-9(17)8(6)4-15-10(18)19-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,18)(H,16,17)

InChIKeyOCKPAJPXNKNIFH-UHFFFAOYSA-N

MW278.23 g/mol

LogP1.78

Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate (PubChem CID 51109177) has the molecular formula C₁₁H₁₃F₃N₂O₃ and a molecular weight of 278.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate.

Molecular Properties

Compound Name	2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
PubChem CID	51109177
Molecular Formula	C₁₁H₁₃F₃N₂O₃
Molecular Weight	278.23 g/mol
Exact Mass	278.09
IUPAC Name	2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILES	Cc1cc(C)c(CNC(=O)OCC(F)(F)F)c(=O)[nH]1
InChI	InChI=1S/C11H13F3N2O3/c1-6-3-7(2)16-9(17)8(6)4-15-10(18)19-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,18)(H,16,17)
InChIKey	OCKPAJPXNKNIFH-UHFFFAOYSA-N
XLogP	1.78
TPSA	71.19 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.23
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?

The IUPAC name of 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate (CID 51109177) is 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate.

What is the SMILES notation for 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?

The canonical SMILES for 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate is Cc1cc(C)c(CNC(=O)OCC(F)(F)F)c(=O)[nH]1.

What is the InChIKey of 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?

The InChIKey is OCKPAJPXNKNIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-6-3-7(2)16-9(17)8(6)4-15-10(18)19-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,18)(H,16,17).

What are the key properties of 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate?

2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate has a molecular weight of 278.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate is sourced from PubChem (CID 51109177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 51109177 — identifiers, structure, computed properties (public domain)

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