3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C8H18FN3O2 — CID 80696187

IUPAC3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCF)CCC(N)=NO
InChIInChI=1S/C8H18FN3O2/c1-14-7-6-12(5-3-9)4-2-8(10)11-13/h13H,2-7H2,1H3,(H2,10,11)
InChIKeyZZUDJNBAPPOVAA-UHFFFAOYSA-N
MW207.25 g/mol
LogP0.04
Rot. Bonds8

About 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 80696187) has the molecular formula C8H18FN3O2 and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID80696187
Molecular FormulaC8H18FN3O2
Molecular Weight207.25 g/mol
Exact Mass207.14
IUPAC Name3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCF)CCC(N)=NO
InChIInChI=1S/C8H18FN3O2/c1-14-7-6-12(5-3-9)4-2-8(10)11-13/h13H,2-7H2,1H3,(H2,10,11)
InChIKeyZZUDJNBAPPOVAA-UHFFFAOYSA-N
XLogP0.04
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 50.04
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 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 80696187) is 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CCF)CCC(N)=NO.
What is the InChIKey of 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is ZZUDJNBAPPOVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3O2/c1-14-7-6-12(5-3-9)4-2-8(10)11-13/h13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 207.25 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 80696187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).