3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide

C12H22F3N3O2 — CID 103370249

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide
SMILESCC1(C)CN(CC(C(N)=NO)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C12H22F3N3O2/c1-10(2)6-18(7-11(3,4)20-10)5-8(9(16)17-19)12(13,14)15/h8,19H,5-7H2,1-4H3,(H2,16,17)
InChIKeyFHMAZDODOZSFBE-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.80
Rot. Bonds3

About 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide (PubChem CID 103370249) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide
PubChem CID103370249
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide
SMILESCC1(C)CN(CC(C(N)=NO)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C12H22F3N3O2/c1-10(2)6-18(7-11(3,4)20-10)5-8(9(16)17-19)12(13,14)15/h8,19H,5-7H2,1-4H3,(H2,16,17)
InChIKeyFHMAZDODOZSFBE-UHFFFAOYSA-N
XLogP1.80
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.80
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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Related Compounds

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide
CID 79680420
N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide
CID 79680790
N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide
CID 79680963
N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide
CID 79681419

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide (CID 103370249) is 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide is CC1(C)CN(CC(C(N)=NO)C(F)(F)F)CC(C)(C)O1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide?
The InChIKey is FHMAZDODOZSFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-10(2)6-18(7-11(3,4)20-10)5-8(9(16)17-19)12(13,14)15/h8,19H,5-7H2,1-4H3,(H2,16,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide has a molecular weight of 297.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide is sourced from PubChem (CID 103370249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).