N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide

C9H9F3N2O2 — CID 20763465

IUPACN-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide
SMILESCOc1cccc(C(F)(F)F)c1/N=C/NO
InChIInChI=1S/C9H9F3N2O2/c1-16-7-4-2-3-6(9(10,11)12)8(7)13-5-14-15/h2-5,15H,1H3,(H,13,14)
InChIKeyYSTHTLYBEBELIC-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.35
Rot. Bonds3

About N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide

N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide (PubChem CID 20763465) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide
PubChem CID20763465
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC NameN-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide
SMILESCOc1cccc(C(F)(F)F)c1/N=C/NO
InChIInChI=1S/C9H9F3N2O2/c1-16-7-4-2-3-6(9(10,11)12)8(7)13-5-14-15/h2-5,15H,1H3,(H,13,14)
InChIKeyYSTHTLYBEBELIC-UHFFFAOYSA-N
XLogP2.35
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.35
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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Related Compounds

2-isocyanato-1-methoxy-3-(trifluoromethyl)benzene
CID 170997128
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117369605
3-[2-methoxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 131869157
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
CID 20763507
N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide
CID 2369819
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide (CID 20763465) is N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide is COc1cccc(C(F)(F)F)c1/N=C/NO.
What is the InChIKey of N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide?
The InChIKey is YSTHTLYBEBELIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-16-7-4-2-3-6(9(10,11)12)8(7)13-5-14-15/h2-5,15H,1H3,(H,13,14).
What are the key properties of N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide?
N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide has a molecular weight of 234.18 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide is sourced from PubChem (CID 20763465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).