3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide

C11H14FN3O2 — CID 43658118

IUPAC3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H14FN3O2/c12-9-7-8(11(13)14-16)1-2-10(9)15-3-5-17-6-4-15/h1-2,7,16H,3-6H2,(H2,13,14)
InChIKeyKMEOFDGJOTZFLX-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.76
Rot. Bonds2

About 3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide

3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide (PubChem CID 43658118) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide
PubChem CID43658118
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H14FN3O2/c12-9-7-8(11(13)14-16)1-2-10(9)15-3-5-17-6-4-15/h1-2,7,16H,3-6H2,(H2,13,14)
InChIKeyKMEOFDGJOTZFLX-UHFFFAOYSA-N
XLogP0.76
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide (CID 43658118) is 3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide is N/C(=N\O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide?
The InChIKey is KMEOFDGJOTZFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-9-7-8(11(13)14-16)1-2-10(9)15-3-5-17-6-4-15/h1-2,7,16H,3-6H2,(H2,13,14).
What are the key properties of 3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide?
3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide has a molecular weight of 239.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-morpholin-4-ylbenzenecarboximidamide is sourced from PubChem (CID 43658118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).