N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide

C14H15F5N2O2 — CID 75500629

IUPACN-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NC(c2c(F)cccc2F)C(F)(F)F)C1
InChIInChI=1S/C14H15F5N2O2/c1-21-5-6-23-10(7-21)13(22)20-12(14(17,18)19)11-8(15)3-2-4-9(11)16/h2-4,10,12H,5-7H2,1H3,(H,20,22)
InChIKeyZYKBLFFMNZNFPL-UHFFFAOYSA-N
MW338.28 g/mol
LogP2.02
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide

N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide (PubChem CID 75500629) has the molecular formula C14H15F5N2O2 and a molecular weight of 338.28 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide
PubChem CID75500629
Molecular FormulaC14H15F5N2O2
Molecular Weight338.28 g/mol
Exact Mass338.11
IUPAC NameN-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NC(c2c(F)cccc2F)C(F)(F)F)C1
InChIInChI=1S/C14H15F5N2O2/c1-21-5-6-23-10(7-21)13(22)20-12(14(17,18)19)11-8(15)3-2-4-9(11)16/h2-4,10,12H,5-7H2,1H3,(H,20,22)
InChIKeyZYKBLFFMNZNFPL-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide (CID 75500629) is N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)NC(c2c(F)cccc2F)C(F)(F)F)C1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is ZYKBLFFMNZNFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5N2O2/c1-21-5-6-23-10(7-21)13(22)20-12(14(17,18)19)11-8(15)3-2-4-9(11)16/h2-4,10,12H,5-7H2,1H3,(H,20,22).
What are the key properties of N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide?
N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 338.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 75500629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).