2-(2-fluoroanilino)-N'-hydroxypropanimidamide

C9H12FN3O — CID 77027479

IUPAC2-(2-fluoroanilino)-N'-hydroxypropanimidamide
SMILESCC(Nc1ccccc1F)C(N)=NO
InChIInChI=1S/C9H12FN3O/c1-6(9(11)13-14)12-8-5-3-2-4-7(8)10/h2-6,12,14H,1H3,(H2,11,13)
InChIKeyYNJQLMVYUAQECW-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-fluoroanilino)-N'-hydroxypropanimidamide

2-(2-fluoroanilino)-N'-hydroxypropanimidamide (PubChem CID 77027479) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N'-hydroxypropanimidamide
PubChem CID77027479
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name2-(2-fluoroanilino)-N'-hydroxypropanimidamide
SMILESCC(Nc1ccccc1F)C(N)=NO
InChIInChI=1S/C9H12FN3O/c1-6(9(11)13-14)12-8-5-3-2-4-7(8)10/h2-6,12,14H,1H3,(H2,11,13)
InChIKeyYNJQLMVYUAQECW-UHFFFAOYSA-N
XLogP1.37
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.37
H-Bond Donors ≤ 53
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': '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 2-(2-fluoroanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(2-fluoroanilino)-N'-hydroxypropanimidamide (CID 77027479) is 2-(2-fluoroanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2-fluoroanilino)-N'-hydroxypropanimidamide is CC(Nc1ccccc1F)C(N)=NO.
What is the InChIKey of 2-(2-fluoroanilino)-N'-hydroxypropanimidamide?
The InChIKey is YNJQLMVYUAQECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-6(9(11)13-14)12-8-5-3-2-4-7(8)10/h2-6,12,14H,1H3,(H2,11,13).
What are the key properties of 2-(2-fluoroanilino)-N'-hydroxypropanimidamide?
2-(2-fluoroanilino)-N'-hydroxypropanimidamide has a molecular weight of 197.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77027479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).