2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide

C13H16F3NO3 — CID 81339847

IUPAC2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NOCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-9(2)10-3-5-11(6-4-10)19-7-12(18)17-20-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyTUMIVTOVPLMBEA-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.80
Rot. Bonds6

About 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide

2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81339847) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81339847
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NOCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-9(2)10-3-5-11(6-4-10)19-7-12(18)17-20-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyTUMIVTOVPLMBEA-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81340723
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492639
N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 119570960
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 81042144

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81339847) is 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide is CC(C)c1ccc(OCC(=O)NOCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is TUMIVTOVPLMBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-9(2)10-3-5-11(6-4-10)19-7-12(18)17-20-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 291.27 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81339847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).