2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide

C11H12FNO3 — CID 103850142

IUPAC2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(C=O)cc1F
InChIInChI=1S/C11H12FNO3/c1-13(2)11(15)7-16-10-4-3-8(6-14)5-9(10)12/h3-6H,7H2,1-2H3
InChIKeyATDYZQRDXCCHKE-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.11
Rot. Bonds4

About 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide

2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide (PubChem CID 103850142) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
PubChem CID103850142
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(C=O)cc1F
InChIInChI=1S/C11H12FNO3/c1-13(2)11(15)7-16-10-4-3-8(6-14)5-9(10)12/h3-6H,7H2,1-2H3
InChIKeyATDYZQRDXCCHKE-UHFFFAOYSA-N
XLogP1.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.11
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

2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide
CID 60623792
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
3-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzaldehyde
CID 107689650
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 103850091
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147
methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908
3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde
CID 107691958
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide
CID 63599530
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide (CID 103850142) is 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(C=O)cc1F.
What is the InChIKey of 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide?
The InChIKey is ATDYZQRDXCCHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-13(2)11(15)7-16-10-4-3-8(6-14)5-9(10)12/h3-6H,7H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide?
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide has a molecular weight of 225.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 103850142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).