N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide

C10H11F3N2O — CID 122674174

IUPACN'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide
SMILESCC(/C(N)=N/O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c1-6(9(14)15-16)7-2-4-8(5-3-7)10(11,12)13/h2-6,16H,1H3,(H2,14,15)
InChIKeyNJQNXRDFMSYHGC-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.56
Rot. Bonds2

About N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide

N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide (PubChem CID 122674174) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide
PubChem CID122674174
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC NameN'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide
SMILESCC(/C(N)=N/O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c1-6(9(14)15-16)7-2-4-8(5-3-7)10(11,12)13/h2-6,16H,1H3,(H2,14,15)
InChIKeyNJQNXRDFMSYHGC-UHFFFAOYSA-N
XLogP2.56
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.56
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 N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide (CID 122674174) is N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide is CC(/C(N)=N/O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide?
The InChIKey is NJQNXRDFMSYHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6(9(14)15-16)7-2-4-8(5-3-7)10(11,12)13/h2-6,16H,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide?
N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide has a molecular weight of 232.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide is sourced from PubChem (CID 122674174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).