2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide

C11H13F3N2O2 — CID 112672830

IUPAC2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide
SMILESNC(=O)CONC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-9(16-18-7-10(15)17)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H2,15,17)
InChIKeyFRMZYQMDTLIJTG-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.69
Rot. Bonds6

About 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide

2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide (PubChem CID 112672830) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide.

Molecular Properties

Compound Name2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide
PubChem CID112672830
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide
SMILESNC(=O)CONC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-9(16-18-7-10(15)17)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H2,15,17)
InChIKeyFRMZYQMDTLIJTG-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
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-[[cyclopropyl(phenyl)methyl]amino]oxyacetamide
CID 112672575
2-[[(2-methylphenyl)-phenylmethyl]amino]oxyacetamide
CID 115992033
tert-butyl N-[(3,3,3-trifluoro-1-phenylpropyl)amino]carbamate
CID 107236907
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103945351
N-(2-amino-2-oxoethoxy)-2-methoxy-2-phenylacetamide
CID 112551118
4,4,4-trifluoro-2-phenylbutanoic acid
CID 59415192
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712825
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide?
The IUPAC name of 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide (CID 112672830) is 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide.
What is the SMILES notation for 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide?
The canonical SMILES for 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide is NC(=O)CONC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide?
The InChIKey is FRMZYQMDTLIJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)6-9(16-18-7-10(15)17)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H2,15,17).
What are the key properties of 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide?
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide has a molecular weight of 262.23 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide is sourced from PubChem (CID 112672830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).