4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide

C8H16FN3O2 — CID 81106502

IUPAC4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCCF)CCO1
InChIInChI=1S/C8H16FN3O2/c9-2-1-3-12-4-5-14-7(6-12)8(10)11-13/h7,13H,1-6H2,(H2,10,11)
InChIKeyDVDHJFILJOWDBB-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.21
Rot. Bonds4

About 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide

4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 81106502) has the molecular formula C8H16FN3O2 and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide
PubChem CID81106502
Molecular FormulaC8H16FN3O2
Molecular Weight205.23 g/mol
Exact Mass205.12
IUPAC Name4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCCF)CCO1
InChIInChI=1S/C8H16FN3O2/c9-2-1-3-12-4-5-14-7(6-12)8(10)11-13/h7,13H,1-6H2,(H2,10,11)
InChIKeyDVDHJFILJOWDBB-UHFFFAOYSA-N
XLogP-0.21
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.21
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'}

Analyze 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide (CID 81106502) is 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide is NC(=NO)C1CN(CCCF)CCO1.
What is the InChIKey of 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is DVDHJFILJOWDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3O2/c9-2-1-3-12-4-5-14-7(6-12)8(10)11-13/h7,13H,1-6H2,(H2,10,11).
What are the key properties of 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide?
4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 205.23 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 81106502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).