4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide

C9H12FN3O — CID 43658148

IUPAC4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCN(C)c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C9H12FN3O/c1-13(2)8-4-3-6(5-7(8)10)9(11)12-14/h3-5,14H,1-2H3,(H2,11,12)
InChIKeyRPYGDYRYUADLOO-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.99
Rot. Bonds2

About 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43658148) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43658148
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCN(C)c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C9H12FN3O/c1-13(2)8-4-3-6(5-7(8)10)9(11)12-14/h3-5,14H,1-2H3,(H2,11,12)
InChIKeyRPYGDYRYUADLOO-UHFFFAOYSA-N
XLogP0.99
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.99
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': '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 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43658148) is 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide is CN(C)c1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is RPYGDYRYUADLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-13(2)8-4-3-6(5-7(8)10)9(11)12-14/h3-5,14H,1-2H3,(H2,11,12).
What are the key properties of 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 197.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43658148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).