2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide

C5H11F2N3O — CID 76928938

IUPAC2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)CC(F)F
InChIInChI=1S/C5H11F2N3O/c1-10(2-4(6)7)3-5(8)9-11/h4,11H,2-3H2,1H3,(H2,8,9)
InChIKeyGLOZAWCLCLBTOF-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.07
Rot. Bonds4

About 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide

2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76928938) has the molecular formula C5H11F2N3O and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide
PubChem CID76928938
Molecular FormulaC5H11F2N3O
Molecular Weight167.16 g/mol
Exact Mass167.09
IUPAC Name2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)CC(F)F
InChIInChI=1S/C5H11F2N3O/c1-10(2-4(6)7)3-5(8)9-11/h4,11H,2-3H2,1H3,(H2,8,9)
InChIKeyGLOZAWCLCLBTOF-UHFFFAOYSA-N
XLogP-0.07
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.07
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-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide (CID 76928938) is 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide is CN(CC(N)=NO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is GLOZAWCLCLBTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3O/c1-10(2-4(6)7)3-5(8)9-11/h4,11H,2-3H2,1H3,(H2,8,9).
What are the key properties of 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide?
2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 167.16 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76928938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).