2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide

C7H9ClF4N2O2 — CID 167818252

IUPAC2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(F)Cl
InChIInChI=1S/C7H9ClF4N2O2/c1-14(6(16)5(8)9)2-4(15)13-3-7(10,11)12/h5H,2-3H2,1H3,(H,13,15)
InChIKeyIRTBIMOZYOFYSX-UHFFFAOYSA-N
MW264.61 g/mol
LogP0.66
Rot. Bonds4

About 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide

2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide (PubChem CID 167818252) has the molecular formula C7H9ClF4N2O2 and a molecular weight of 264.61 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
PubChem CID167818252
Molecular FormulaC7H9ClF4N2O2
Molecular Weight264.61 g/mol
Exact Mass264.03
IUPAC Name2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(F)Cl
InChIInChI=1S/C7H9ClF4N2O2/c1-14(6(16)5(8)9)2-4(15)13-3-7(10,11)12/h5H,2-3H2,1H3,(H,13,15)
InChIKeyIRTBIMOZYOFYSX-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.61
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide (CID 167818252) is 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide is CN(CC(=O)NCC(F)(F)F)C(=O)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The InChIKey is IRTBIMOZYOFYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF4N2O2/c1-14(6(16)5(8)9)2-4(15)13-3-7(10,11)12/h5H,2-3H2,1H3,(H,13,15).
What are the key properties of 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide has a molecular weight of 264.61 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide is sourced from PubChem (CID 167818252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).