2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide

C8H6F4N2O — CID 15452050

IUPAC2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C8H6F4N2O/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14-15/h1-3,15H,(H2,13,14)
InChIKeyFMOHILHXPAVOMF-UHFFFAOYSA-N
MW222.14 g/mol
LogP1.94
Rot. Bonds1

About 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide

2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide (PubChem CID 15452050) has the molecular formula C8H6F4N2O and a molecular weight of 222.14 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide
PubChem CID15452050
Molecular FormulaC8H6F4N2O
Molecular Weight222.14 g/mol
Exact Mass222.04
IUPAC Name2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C8H6F4N2O/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14-15/h1-3,15H,(H2,13,14)
InChIKeyFMOHILHXPAVOMF-UHFFFAOYSA-N
XLogP1.94
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide (CID 15452050) is 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide is N/C(=N\O)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is FMOHILHXPAVOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14-15/h1-3,15H,(H2,13,14).
What are the key properties of 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 222.14 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 15452050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).