3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C8H17F2N3O — CID 76910355

IUPAC3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(F)F)CC(C)C(N)=NO
InChIInChI=1S/C8H17F2N3O/c1-3-13(5-7(9)10)4-6(2)8(11)12-14/h6-7,14H,3-5H2,1-2H3,(H2,11,12)
InChIKeyZNCZMKWILAKABQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.96
Rot. Bonds6

About 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910355) has the molecular formula C8H17F2N3O and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910355
Molecular FormulaC8H17F2N3O
Molecular Weight209.24 g/mol
Exact Mass209.13
IUPAC Name3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(F)F)CC(C)C(N)=NO
InChIInChI=1S/C8H17F2N3O/c1-3-13(5-7(9)10)4-6(2)8(11)12-14/h6-7,14H,3-5H2,1-2H3,(H2,11,12)
InChIKeyZNCZMKWILAKABQ-UHFFFAOYSA-N
XLogP0.96
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.96
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 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910355) is 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(F)F)CC(C)C(N)=NO.
What is the InChIKey of 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZNCZMKWILAKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O/c1-3-13(5-7(9)10)4-6(2)8(11)12-14/h6-7,14H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 209.24 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).