N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide

C16H10F4N2O2 — CID 156653490

IUPACN'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1ccc(F)c(C(F)(F)F)c1)c1ccc2occc2c1
InChIInChI=1S/C16H10F4N2O2/c17-13-3-2-11(8-12(13)16(18,19)20)21-15(22-23)10-1-4-14-9(7-10)5-6-24-14/h1-8,23H,(H,21,22)
InChIKeyFBEDSQOYJWGCIF-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.65
Rot. Bonds2

About N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide

N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide (PubChem CID 156653490) has the molecular formula C16H10F4N2O2 and a molecular weight of 338.26 g/mol. Its IUPAC name is N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide
PubChem CID156653490
Molecular FormulaC16H10F4N2O2
Molecular Weight338.26 g/mol
Exact Mass338.07
IUPAC NameN'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide
SMILESON/C(=N\c1ccc(F)c(C(F)(F)F)c1)c1ccc2occc2c1
InChIInChI=1S/C16H10F4N2O2/c17-13-3-2-11(8-12(13)16(18,19)20)21-15(22-23)10-1-4-14-9(7-10)5-6-24-14/h1-8,23H,(H,21,22)
InChIKeyFBEDSQOYJWGCIF-UHFFFAOYSA-N
XLogP4.65
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.65
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide?
The IUPAC name of N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide (CID 156653490) is N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide?
The canonical SMILES for N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide is ON/C(=N\c1ccc(F)c(C(F)(F)F)c1)c1ccc2occc2c1.
What is the InChIKey of N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide?
The InChIKey is FBEDSQOYJWGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O2/c17-13-3-2-11(8-12(13)16(18,19)20)21-15(22-23)10-1-4-14-9(7-10)5-6-24-14/h1-8,23H,(H,21,22).
What are the key properties of N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide?
N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide has a molecular weight of 338.26 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).