2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide

C10H13FN2O2 — CID 43259345

IUPAC2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(N)cc1F
InChIInChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-9-4-3-7(12)5-8(9)11/h3-5H,6,12H2,1-2H3
InChIKeyPBWUZPUPSJELKK-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.87
Rot. Bonds3

About 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide

2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide (PubChem CID 43259345) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide
PubChem CID43259345
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(N)cc1F
InChIInChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-9-4-3-7(12)5-8(9)11/h3-5H,6,12H2,1-2H3
InChIKeyPBWUZPUPSJELKK-UHFFFAOYSA-N
XLogP0.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide (CID 43259345) is 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide?
The InChIKey is PBWUZPUPSJELKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-9-4-3-7(12)5-8(9)11/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide?
2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide has a molecular weight of 212.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 43259345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).