2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate

C10H11F3N2O3 — CID 52908166

IUPAC2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
SMILESCCn1cc(NC(=O)OCC(F)(F)F)ccc1=O
InChIInChI=1S/C10H11F3N2O3/c1-2-15-5-7(3-4-8(15)16)14-9(17)18-6-10(11,12)13/h3-5H,2,6H2,1H3,(H,14,17)
InChIKeyYLECTYGZMMGHAD-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.98
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate

2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate (PubChem CID 52908166) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
PubChem CID52908166
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
SMILESCCn1cc(NC(=O)OCC(F)(F)F)ccc1=O
InChIInChI=1S/C10H11F3N2O3/c1-2-15-5-7(3-4-8(15)16)14-9(17)18-6-10(11,12)13/h3-5H,2,6H2,1H3,(H,14,17)
InChIKeyYLECTYGZMMGHAD-UHFFFAOYSA-N
XLogP1.98
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate (CID 52908166) is 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate is CCn1cc(NC(=O)OCC(F)(F)F)ccc1=O.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate?
The InChIKey is YLECTYGZMMGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-2-15-5-7(3-4-8(15)16)14-9(17)18-6-10(11,12)13/h3-5H,2,6H2,1H3,(H,14,17).
What are the key properties of 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate?
2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate has a molecular weight of 264.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate is sourced from PubChem (CID 52908166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).