4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide

C7H14FN3O2 — CID 80694743

IUPAC4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCF)CCO1
InChIInChI=1S/C7H14FN3O2/c8-1-2-11-3-4-13-6(5-11)7(9)10-12/h6,12H,1-5H2,(H2,9,10)
InChIKeyFQWSSRNMVDFNDP-UHFFFAOYSA-N
MW191.21 g/mol
LogP-0.60
Rot. Bonds3

About 4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide

4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 80694743) has the molecular formula C7H14FN3O2 and a molecular weight of 191.21 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide
PubChem CID80694743
Molecular FormulaC7H14FN3O2
Molecular Weight191.21 g/mol
Exact Mass191.11
IUPAC Name4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCF)CCO1
InChIInChI=1S/C7H14FN3O2/c8-1-2-11-3-4-13-6(5-11)7(9)10-12/h6,12H,1-5H2,(H2,9,10)
InChIKeyFQWSSRNMVDFNDP-UHFFFAOYSA-N
XLogP-0.60
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-0.60
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-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide (CID 80694743) is 4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide is NC(=NO)C1CN(CCF)CCO1.
What is the InChIKey of 4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is FQWSSRNMVDFNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3O2/c8-1-2-11-3-4-13-6(5-11)7(9)10-12/h6,12H,1-5H2,(H2,9,10).
What are the key properties of 4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide?
4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 191.21 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 80694743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).