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

C7H9F5N2O2 — CID 103515017

IUPAC2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(F)F
InChIInChI=1S/C7H9F5N2O2/c1-14(6(16)5(8)9)2-4(15)13-3-7(10,11)12/h5H,2-3H2,1H3,(H,13,15)
InChIKeyGSSHLHXXXCFDLB-UHFFFAOYSA-N
MW248.15 g/mol
LogP0.39
Rot. Bonds4

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

2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide (PubChem CID 103515017) has the molecular formula C7H9F5N2O2 and a molecular weight of 248.15 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
PubChem CID103515017
Molecular FormulaC7H9F5N2O2
Molecular Weight248.15 g/mol
Exact Mass248.06
IUPAC Name2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(F)F
InChIInChI=1S/C7H9F5N2O2/c1-14(6(16)5(8)9)2-4(15)13-3-7(10,11)12/h5H,2-3H2,1H3,(H,13,15)
InChIKeyGSSHLHXXXCFDLB-UHFFFAOYSA-N
XLogP0.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide (CID 103515017) is 2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide is CN(CC(=O)NCC(F)(F)F)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The InChIKey is GSSHLHXXXCFDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5N2O2/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 2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide has a molecular weight of 248.15 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide is sourced from PubChem (CID 103515017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).