3-(4-fluorophenyl)-N'-hydroxypropanimidamide

C9H11FN2O — CID 140529999

IUPAC3-(4-fluorophenyl)-N'-hydroxypropanimidamide
SMILESN/C(CCc1ccc(F)cc1)=N\O
InChIInChI=1S/C9H11FN2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13/h1-2,4-5,13H,3,6H2,(H2,11,12)
InChIKeyCKWKCFUCIMSRNG-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.50
Rot. Bonds3

About 3-(4-fluorophenyl)-N'-hydroxypropanimidamide

3-(4-fluorophenyl)-N'-hydroxypropanimidamide (PubChem CID 140529999) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-hydroxypropanimidamide
PubChem CID140529999
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-(4-fluorophenyl)-N'-hydroxypropanimidamide
SMILESN/C(CCc1ccc(F)cc1)=N\O
InChIInChI=1S/C9H11FN2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13/h1-2,4-5,13H,3,6H2,(H2,11,12)
InChIKeyCKWKCFUCIMSRNG-UHFFFAOYSA-N
XLogP1.50
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.50
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 3-(4-fluorophenyl)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(4-fluorophenyl)-N'-hydroxypropanimidamide (CID 140529999) is 3-(4-fluorophenyl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-hydroxypropanimidamide is N/C(CCc1ccc(F)cc1)=N\O.
What is the InChIKey of 3-(4-fluorophenyl)-N'-hydroxypropanimidamide?
The InChIKey is CKWKCFUCIMSRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13/h1-2,4-5,13H,3,6H2,(H2,11,12).
What are the key properties of 3-(4-fluorophenyl)-N'-hydroxypropanimidamide?
3-(4-fluorophenyl)-N'-hydroxypropanimidamide has a molecular weight of 182.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 140529999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).