N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide

C8H7F3N2O — CID 20763507

IUPACN-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
SMILESON/C=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-2-1-3-7(4-6)12-5-13-14/h1-5,14H,(H,12,13)
InChIKeyDZLSCHGMWFXDGO-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.34
Rot. Bonds2

About N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide

N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide (PubChem CID 20763507) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
PubChem CID20763507
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC NameN-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
SMILESON/C=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-2-1-3-7(4-6)12-5-13-14/h1-5,14H,(H,12,13)
InChIKeyDZLSCHGMWFXDGO-UHFFFAOYSA-N
XLogP2.34
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.34
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide
CID 20763508
N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide
CID 20763498
1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 4134232
1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 964575
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
1,1,1-trifluoro-4-hydroxy-4-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]but-3-en-2-one
CID 135514812
N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 50885156
1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 159650311
dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine
CID 6333667
2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
CID 58663964
5-methyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
CID 1485847
N'-(2,3-dihydro-1H-benzotriazol-5-yl)-N-hydroxymethanimidamide
CID 142061924

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide (CID 20763507) is N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide is ON/C=N/c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide?
The InChIKey is DZLSCHGMWFXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)6-2-1-3-7(4-6)12-5-13-14/h1-5,14H,(H,12,13).
What are the key properties of N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide?
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide has a molecular weight of 204.15 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide is sourced from PubChem (CID 20763507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).