ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate

C10H11F3N2O3 — CID 61067882

IUPACethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O3/c1-2-17-9(16)15-7-3-4-8(14-5-7)18-6-10(11,12)13/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyLMTKXEBQTBHUEZ-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.59
Rot. Bonds4

About ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate

ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate (PubChem CID 61067882) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
PubChem CID61067882
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Nameethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O3/c1-2-17-9(16)15-7-3-4-8(14-5-7)18-6-10(11,12)13/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyLMTKXEBQTBHUEZ-UHFFFAOYSA-N
XLogP2.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate (CID 61067882) is ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The InChIKey is LMTKXEBQTBHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-2-17-9(16)15-7-3-4-8(14-5-7)18-6-10(11,12)13/h3-5H,2,6H2,1H3,(H,15,16).
What are the key properties of ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate has a molecular weight of 264.20 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate is sourced from PubChem (CID 61067882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).