2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline

C10H11F3N2O — CID 126606117

IUPAC2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline
SMILES[H]/N=C(\C)c1cc(OC(F)(F)F)ccc1NC
InChIInChI=1S/C10H11F3N2O/c1-6(14)8-5-7(16-10(11,12)13)3-4-9(8)15-2/h3-5,14-15H,1-2H3/b14-6+
InChIKeyZMGAJETZPXCJHJ-MKMNVTDBSA-N
MW232.21 g/mol
LogP3.01
Rot. Bonds3

About 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline

2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline (PubChem CID 126606117) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline
PubChem CID126606117
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline
SMILES[H]/N=C(\C)c1cc(OC(F)(F)F)ccc1NC
InChIInChI=1S/C10H11F3N2O/c1-6(14)8-5-7(16-10(11,12)13)3-4-9(8)15-2/h3-5,14-15H,1-2H3/b14-6+
InChIKeyZMGAJETZPXCJHJ-MKMNVTDBSA-N
XLogP3.01
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline?
The IUPAC name of 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline (CID 126606117) is 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline is [H]/N=C(\C)c1cc(OC(F)(F)F)ccc1NC.
What is the InChIKey of 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline?
The InChIKey is ZMGAJETZPXCJHJ-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6(14)8-5-7(16-10(11,12)13)3-4-9(8)15-2/h3-5,14-15H,1-2H3/b14-6+.
What are the key properties of 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline?
2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline has a molecular weight of 232.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-N-methyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 126606117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).