2-[4-(trifluoromethoxy)phenoxy]ethanimidamide

C9H9F3N2O2 — CID 83396669

IUPAC2-[4-(trifluoromethoxy)phenoxy]ethanimidamide
SMILES[H]/N=C(\N)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-6(2-4-7)15-5-8(13)14/h1-4H,5H2,(H3,13,14)
InChIKeyCNTBBNGPNIIDRV-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide

2-[4-(trifluoromethoxy)phenoxy]ethanimidamide (PubChem CID 83396669) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenoxy]ethanimidamide
PubChem CID83396669
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[4-(trifluoromethoxy)phenoxy]ethanimidamide
SMILES[H]/N=C(\N)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-6(2-4-7)15-5-8(13)14/h1-4H,5H2,(H3,13,14)
InChIKeyCNTBBNGPNIIDRV-UHFFFAOYSA-N
XLogP1.90
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylphenoxy)ethanimidamide
CID 24709698
2-(4-phenoxyphenoxy)ethanimidamide
CID 24695247
N-[4-(2-amino-2-iminoethoxy)phenyl]-2,2-dimethylpropanamide
CID 71756532
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
2-(3-bromo-4-fluorophenoxy)ethanimidamide
CID 83234459
2-(3-chloro-4-fluorophenoxy)ethanimidamide
CID 63878137
5-[4-(trifluoromethyl)phenoxy]pentanimidamide
CID 54966069
(Z)-3-methyl-4-[4-(trifluoromethoxy)phenoxy]but-2-enoic acid
CID 113497364
2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
CID 113497382

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide?
The IUPAC name of 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide (CID 83396669) is 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide is [H]/N=C(\N)COc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide?
The InChIKey is CNTBBNGPNIIDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-6(2-4-7)15-5-8(13)14/h1-4H,5H2,(H3,13,14).
What are the key properties of 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide?
2-[4-(trifluoromethoxy)phenoxy]ethanimidamide has a molecular weight of 234.18 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenoxy]ethanimidamide is sourced from PubChem (CID 83396669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).