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

C8H7F3N2OS — CID 20763508

IUPACN-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide
SMILESON/C=N/c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)15-7-3-1-2-6(4-7)12-5-13-14/h1-5,14H,(H,12,13)
InChIKeyPVRAJIPHEFLAMH-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.94
Rot. Bonds3

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

N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide (PubChem CID 20763508) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide
PubChem CID20763508
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC NameN-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide
SMILESON/C=N/c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)15-7-3-1-2-6(4-7)12-5-13-14/h1-5,14H,(H,12,13)
InChIKeyPVRAJIPHEFLAMH-UHFFFAOYSA-N
XLogP2.94
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.94
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-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide (CID 20763508) is N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide is ON/C=N/c1cccc(SC(F)(F)F)c1.
What is the InChIKey of N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide?
The InChIKey is PVRAJIPHEFLAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c9-8(10,11)15-7-3-1-2-6(4-7)12-5-13-14/h1-5,14H,(H,12,13).
What are the key properties of N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide?
N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide has a molecular weight of 236.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[3-(trifluoromethylsulfanyl)phenyl]methanimidamide is sourced from PubChem (CID 20763508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).