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

C11H13F3N2O3 — CID 51109177

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 Name2,2,2-trifluoroethyl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
PubChem CID51109177
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2,2,2-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
XLogP1.78
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).