4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide

C7H13F2N3O2 — CID 79681586

IUPAC4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CC(F)F)CCO1
InChIInChI=1S/C7H13F2N3O2/c8-6(9)4-12-1-2-14-5(3-12)7(10)11-13/h5-6,13H,1-4H2,(H2,10,11)
InChIKeyLENXKMSPRWUXLU-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.30
Rot. Bonds3

About 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide

4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 79681586) has the molecular formula C7H13F2N3O2 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide
PubChem CID79681586
Molecular FormulaC7H13F2N3O2
Molecular Weight209.20 g/mol
Exact Mass209.10
IUPAC Name4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CC(F)F)CCO1
InChIInChI=1S/C7H13F2N3O2/c8-6(9)4-12-1-2-14-5(3-12)7(10)11-13/h5-6,13H,1-4H2,(H2,10,11)
InChIKeyLENXKMSPRWUXLU-UHFFFAOYSA-N
XLogP-0.30
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.30
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 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide (CID 79681586) is 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide is NC(=NO)C1CN(CC(F)F)CCO1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is LENXKMSPRWUXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O2/c8-6(9)4-12-1-2-14-5(3-12)7(10)11-13/h5-6,13H,1-4H2,(H2,10,11).
What are the key properties of 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide?
4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 209.20 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 79681586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).