2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide

C10H8F3NO3 — CID 63320694

IUPAC2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)7-3-6(4-15)1-2-8(7)17-5-9(14)16/h1-4H,5H2,(H2,14,16)
InChIKeyAABCXOACCLZJCY-UHFFFAOYSA-N
MW247.17 g/mol
LogP1.38
Rot. Bonds4

About 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide

2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 63320694) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
PubChem CID63320694
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)7-3-6(4-15)1-2-8(7)17-5-9(14)16/h1-4H,5H2,(H2,14,16)
InChIKeyAABCXOACCLZJCY-UHFFFAOYSA-N
XLogP1.38
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.38
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

methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
CID 55206244
N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 55205672
4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 63320739
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392
2-(4-formyl-2-nitrophenoxy)acetamide
CID 43082663
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
4-pentoxy-3-(trifluoromethyl)benzaldehyde
CID 55218912
[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533143
4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde
CID 89022635

Frequently Asked Questions

What is the IUPAC name of 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide (CID 63320694) is 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide is NC(=O)COc1ccc(C=O)cc1C(F)(F)F.
What is the InChIKey of 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is AABCXOACCLZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)7-3-6(4-15)1-2-8(7)17-5-9(14)16/h1-4H,5H2,(H2,14,16).
What are the key properties of 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide?
2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 247.17 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 63320694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).