2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide

C11H13F3N2O2 — CID 21049546

IUPAC2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-16(2)10(17)6-18-9-4-7(11(12,13)14)3-8(15)5-9/h3-5H,6,15H2,1-2H3
InChIKeyYINHKDYMLICZDA-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.75
Rot. Bonds3

About 2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide

2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide (PubChem CID 21049546) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
PubChem CID21049546
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-16(2)10(17)6-18-9-4-7(11(12,13)14)3-8(15)5-9/h3-5H,6,15H2,1-2H3
InChIKeyYINHKDYMLICZDA-UHFFFAOYSA-N
XLogP1.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.75
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-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide (CID 21049546) is 2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is YINHKDYMLICZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-16(2)10(17)6-18-9-4-7(11(12,13)14)3-8(15)5-9/h3-5H,6,15H2,1-2H3.
What are the key properties of 2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide?
2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 262.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(trifluoromethyl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 21049546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).