2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide

C9H9F3N2O2 — CID 21049544

IUPAC2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide
SMILESNC(=O)COc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)5-1-6(13)3-7(2-5)16-4-8(14)15/h1-3H,4,13H2,(H2,14,15)
InChIKeyTXACCGCSASXXNZ-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.15
Rot. Bonds3

About 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide

2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide (PubChem CID 21049544) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide
PubChem CID21049544
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide
SMILESNC(=O)COc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)5-1-6(13)3-7(2-5)16-4-8(14)15/h1-3H,4,13H2,(H2,14,15)
InChIKeyTXACCGCSASXXNZ-UHFFFAOYSA-N
XLogP1.15
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
CID 78760649
3-pentoxy-5-(trifluoromethyl)aniline
CID 82995842
3-(3,3-dimethylbutoxy)-5-(trifluoromethyl)aniline
CID 82994867
2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
CID 154733834
3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline
CID 143140222
3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
CID 82990854
3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline
CID 102739743
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide
CID 29465196
3-amino-5-(trifluoromethyl)benzohydrazide
CID 90020746
4-[3-amino-5-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878329
3-amino-5-(trifluoromethyl)benzoic acid;ethane
CID 144657223

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide (CID 21049544) is 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide is NC(=O)COc1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is TXACCGCSASXXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)5-1-6(13)3-7(2-5)16-4-8(14)15/h1-3H,4,13H2,(H2,14,15).
What are the key properties of 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide?
2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 234.18 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 21049544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).