3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide

C13H14F3NO3 — CID 63320392

IUPAC3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-17(2)12(19)5-6-20-11-4-3-9(8-18)7-10(11)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUKAAMLUGMOPFHM-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.38
Rot. Bonds5

About 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide

3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide (PubChem CID 63320392) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
PubChem CID63320392
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-17(2)12(19)5-6-20-11-4-3-9(8-18)7-10(11)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUKAAMLUGMOPFHM-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
4-pentoxy-3-(trifluoromethyl)benzaldehyde
CID 55218912
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 63320694
N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 55205672
diethyl [4-formyl-2-(trifluoromethyl)phenyl] phosphate
CID 153436835
[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533143
4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde
CID 89022635
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
CID 55206244

Frequently Asked Questions

What is the IUPAC name of 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide (CID 63320392) is 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide is CN(C)C(=O)CCOc1ccc(C=O)cc1C(F)(F)F.
What is the InChIKey of 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide?
The InChIKey is UKAAMLUGMOPFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-17(2)12(19)5-6-20-11-4-3-9(8-18)7-10(11)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide?
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide has a molecular weight of 289.25 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 63320392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).