2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide

C11H9F3N2O3 — CID 81343426

IUPAC2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NOCC(F)(F)F
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)7-19-16-10(17)6-18-9-4-2-1-3-8(9)5-15/h1-4H,6-7H2,(H,16,17)
InChIKeyDMIWXCDQDSZPBJ-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.55
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide

2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81343426) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81343426
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NOCC(F)(F)F
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)7-19-16-10(17)6-18-9-4-2-1-3-8(9)5-15/h1-4H,6-7H2,(H,16,17)
InChIKeyDMIWXCDQDSZPBJ-UHFFFAOYSA-N
XLogP1.55
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
CID 115491599
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857248
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2124208
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 60705194
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 96523980
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81340218
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81343426) is 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide is N#Cc1ccccc1OCC(=O)NOCC(F)(F)F.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DMIWXCDQDSZPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c12-11(13,14)7-19-16-10(17)6-18-9-4-2-1-3-8(9)5-15/h1-4H,6-7H2,(H,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 274.20 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81343426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).