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

C6H13F2N3O — CID 76929173

IUPAC2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC(F)F
InChIInChI=1S/C6H13F2N3O/c1-2-11(3-5(7)8)4-6(9)10-12/h5,12H,2-4H2,1H3,(H2,9,10)
InChIKeyZUIOVJUVXRTFSM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.32
Rot. Bonds5

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

2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76929173) has the molecular formula C6H13F2N3O and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide
PubChem CID76929173
Molecular FormulaC6H13F2N3O
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Name2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC(F)F
InChIInChI=1S/C6H13F2N3O/c1-2-11(3-5(7)8)4-6(9)10-12/h5,12H,2-4H2,1H3,(H2,9,10)
InChIKeyZUIOVJUVXRTFSM-UHFFFAOYSA-N
XLogP0.32
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.32
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(ethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide (CID 76929173) is 2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is ZUIOVJUVXRTFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O/c1-2-11(3-5(7)8)4-6(9)10-12/h5,12H,2-4H2,1H3,(H2,9,10).
What are the key properties of 2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide?
2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 181.19 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76929173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).