2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C11H9F4NO3 — CID 113338147

IUPAC2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=Cc1ccc(OCC(=O)NCC(F)(F)F)c(F)c1
InChIInChI=1S/C11H9F4NO3/c12-8-3-7(4-17)1-2-9(8)19-5-10(18)16-6-11(13,14)15/h1-4H,5-6H2,(H,16,18)
InChIKeyALHSFCJHPYLTIE-UHFFFAOYSA-N
MW279.19 g/mol
LogP1.70
Rot. Bonds5

About 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113338147) has the molecular formula C11H9F4NO3 and a molecular weight of 279.19 g/mol. Its IUPAC name is 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113338147
Molecular FormulaC11H9F4NO3
Molecular Weight279.19 g/mol
Exact Mass279.05
IUPAC Name2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=Cc1ccc(OCC(=O)NCC(F)(F)F)c(F)c1
InChIInChI=1S/C11H9F4NO3/c12-8-3-7(4-17)1-2-9(8)19-5-10(18)16-6-11(13,14)15/h1-4H,5-6H2,(H,16,18)
InChIKeyALHSFCJHPYLTIE-UHFFFAOYSA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 55205672
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107698258
2-(4-fluoro-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 82917421
2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 103849996
2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107738387
2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 63320739
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 103850091
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 113338147) is 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is O=Cc1ccc(OCC(=O)NCC(F)(F)F)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ALHSFCJHPYLTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO3/c12-8-3-7(4-17)1-2-9(8)19-5-10(18)16-6-11(13,14)15/h1-4H,5-6H2,(H,16,18).
What are the key properties of 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.19 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113338147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).