N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide

C8H7F3N2O2 — CID 2733309

IUPACN'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChIKeyCOHKFOZYLCDVRK-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.68
Rot. Bonds2

About N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide

N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide (PubChem CID 2733309) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide
PubChem CID2733309
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC NameN'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChIKeyCOHKFOZYLCDVRK-UHFFFAOYSA-N
XLogP1.68
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.68
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': '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 N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide (CID 2733309) is N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide is NC(=NO)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide?
The InChIKey is COHKFOZYLCDVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13).
What are the key properties of N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide?
N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide has a molecular weight of 220.15 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide is sourced from PubChem (CID 2733309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).