5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide

C15H22FN3O2 — CID 102744059

IUPAC5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
SMILESCC1(C)CN(c2ccc(F)cc2/C(N)=N/O)CC(C)(C)O1
InChIInChI=1S/C15H22FN3O2/c1-14(2)8-19(9-15(3,4)21-14)12-6-5-10(16)7-11(12)13(17)18-20/h5-7,20H,8-9H2,1-4H3,(H2,17,18)
InChIKeyJWOWEHUCAZAWSE-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.31
Rot. Bonds2

About 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide (PubChem CID 102744059) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
PubChem CID102744059
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
SMILESCC1(C)CN(c2ccc(F)cc2/C(N)=N/O)CC(C)(C)O1
InChIInChI=1S/C15H22FN3O2/c1-14(2)8-19(9-15(3,4)21-14)12-6-5-10(16)7-11(12)13(17)18-20/h5-7,20H,8-9H2,1-4H3,(H2,17,18)
InChIKeyJWOWEHUCAZAWSE-UHFFFAOYSA-N
XLogP2.31
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.31
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 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide (CID 102744059) is 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide is CC1(C)CN(c2ccc(F)cc2/C(N)=N/O)CC(C)(C)O1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
The InChIKey is JWOWEHUCAZAWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-14(2)8-19(9-15(3,4)21-14)12-6-5-10(16)7-11(12)13(17)18-20/h5-7,20H,8-9H2,1-4H3,(H2,17,18).
What are the key properties of 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide has a molecular weight of 295.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 102744059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).