4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide

C11H12F4N2O — CID 102747213

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O/c12-9-4-3-7(6-8(9)11(13,14)15)18-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H3,16,17)
InChIKeyVTHMTDUQWHPJKU-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.94
Rot. Bonds5

About 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide

4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide (PubChem CID 102747213) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
PubChem CID102747213
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O/c12-9-4-3-7(6-8(9)11(13,14)15)18-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H3,16,17)
InChIKeyVTHMTDUQWHPJKU-UHFFFAOYSA-N
XLogP2.94
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.94
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'}

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Related Compounds

5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentanethioamide
CID 102747160
4-[2-(trifluoromethyl)phenoxy]butanimidamide
CID 24702923
5-[4-(trifluoromethyl)phenoxy]pentanimidamide
CID 54966069
4-(4-bromobutoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 102747039
5-[2-(trifluoromethyl)phenoxy]pentanimidamide
CID 54965748
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 43138698
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentane-1-sulfonamide
CID 102747732
2-(3-bromo-4-fluorophenoxy)ethanimidamide
CID 83234459
2-(3-chloro-4-fluorophenoxy)ethanimidamide
CID 63878137
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 102747179
4-(3-ethylphenoxy)butanimidamide
CID 24704166

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide (CID 102747213) is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide is [H]/N=C(\N)CCCOc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide?
The InChIKey is VTHMTDUQWHPJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c12-9-4-3-7(6-8(9)11(13,14)15)18-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H3,16,17).
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide?
4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide has a molecular weight of 264.22 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide is sourced from PubChem (CID 102747213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).