2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

C8H13F3N2O2 — CID 62734858

IUPAC2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-3-4-12-6(14)5-13(2)7(15)8(9,10)11/h3-5H2,1-2H3,(H,12,14)
InChIKeyBYVJZGOUBFZDOZ-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.53
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (PubChem CID 62734858) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
PubChem CID62734858
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-3-4-12-6(14)5-13(2)7(15)8(9,10)11/h3-5H2,1-2H3,(H,12,14)
InChIKeyBYVJZGOUBFZDOZ-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (CID 62734858) is 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is CCCNC(=O)CN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The InChIKey is BYVJZGOUBFZDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-3-4-12-6(14)5-13(2)7(15)8(9,10)11/h3-5H2,1-2H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide has a molecular weight of 226.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 62734858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).