4-[2-(trifluoromethyl)phenoxy]butanimidamide

C11H13F3N2O — CID 24702923

IUPAC4-[2-(trifluoromethyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-4-1-2-5-9(8)17-7-3-6-10(15)16/h1-2,4-5H,3,6-7H2,(H3,15,16)
InChIKeyKTFHHVGJSKWYLN-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.80
Rot. Bonds5

About 4-[2-(trifluoromethyl)phenoxy]butanimidamide

4-[2-(trifluoromethyl)phenoxy]butanimidamide (PubChem CID 24702923) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenoxy]butanimidamide.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenoxy]butanimidamide
PubChem CID24702923
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name4-[2-(trifluoromethyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-4-1-2-5-9(8)17-7-3-6-10(15)16/h1-2,4-5H,3,6-7H2,(H3,15,16)
InChIKeyKTFHHVGJSKWYLN-UHFFFAOYSA-N
XLogP2.80
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(trifluoromethyl)phenoxy]butanimidamide 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

5-[2-(trifluoromethyl)phenoxy]pentanimidamide
CID 54965748
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
CID 102747213
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
4-(2-propan-2-ylphenoxy)butanimidamide
CID 24711306
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111107570
5-[4-(trifluoromethyl)phenoxy]pentanimidamide
CID 54966069
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 66337646
5-(3-chloro-2-fluorophenoxy)pentanimidamide
CID 116689239
ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 43365238

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenoxy]butanimidamide?
The IUPAC name of 4-[2-(trifluoromethyl)phenoxy]butanimidamide (CID 24702923) is 4-[2-(trifluoromethyl)phenoxy]butanimidamide.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenoxy]butanimidamide?
The canonical SMILES for 4-[2-(trifluoromethyl)phenoxy]butanimidamide is [H]/N=C(\N)CCCOc1ccccc1C(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethyl)phenoxy]butanimidamide?
The InChIKey is KTFHHVGJSKWYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)8-4-1-2-5-9(8)17-7-3-6-10(15)16/h1-2,4-5H,3,6-7H2,(H3,15,16).
What are the key properties of 4-[2-(trifluoromethyl)phenoxy]butanimidamide?
4-[2-(trifluoromethyl)phenoxy]butanimidamide has a molecular weight of 246.23 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenoxy]butanimidamide is sourced from PubChem (CID 24702923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).