2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C8H12F3N3O — CID 60684370

IUPAC2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CCC#N)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14(4-2-3-12)5-7(15)13-6-8(9,10)11/h2,4-6H2,1H3,(H,13,15)
InChIKeyZTFQYZKDXRPIEC-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.51
Rot. Bonds5

About 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60684370) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60684370
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CCC#N)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14(4-2-3-12)5-7(15)13-6-8(9,10)11/h2,4-6H2,1H3,(H,13,15)
InChIKeyZTFQYZKDXRPIEC-UHFFFAOYSA-N
XLogP0.51
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60684370) is 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CCC#N)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZTFQYZKDXRPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14(4-2-3-12)5-7(15)13-6-8(9,10)11/h2,4-6H2,1H3,(H,13,15).
What are the key properties of 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 223.20 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60684370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).