2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide

C6H14FN3O — CID 80695874

IUPAC2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CCF
InChIInChI=1S/C6H14FN3O/c1-5(6(8)9-11)10(2)4-3-7/h5,11H,3-4H2,1-2H3,(H2,8,9)
InChIKeyCVMYYZCURGYZEM-UHFFFAOYSA-N
MW163.20 g/mol
LogP0.02
Rot. Bonds4

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

2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 80695874) has the molecular formula C6H14FN3O and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID80695874
Molecular FormulaC6H14FN3O
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC Name2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CCF
InChIInChI=1S/C6H14FN3O/c1-5(6(8)9-11)10(2)4-3-7/h5,11H,3-4H2,1-2H3,(H2,8,9)
InChIKeyCVMYYZCURGYZEM-UHFFFAOYSA-N
XLogP0.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide (CID 80695874) is 2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)CCF.
What is the InChIKey of 2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is CVMYYZCURGYZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3O/c1-5(6(8)9-11)10(2)4-3-7/h5,11H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 163.20 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 80695874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).