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

C8H17F2N3O2 — CID 107480129

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C8H17F2N3O2/c1-6(8(11)12-15)4-13(2-3-14)5-7(9)10/h6-7,14-15H,2-5H2,1H3,(H2,11,12)
InChIKeyGODOBMAUUPUGNN-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.07
Rot. Bonds7

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

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 107480129) has the molecular formula C8H17F2N3O2 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID107480129
Molecular FormulaC8H17F2N3O2
Molecular Weight225.24 g/mol
Exact Mass225.13
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C8H17F2N3O2/c1-6(8(11)12-15)4-13(2-3-14)5-7(9)10/h6-7,14-15H,2-5H2,1H3,(H2,11,12)
InChIKeyGODOBMAUUPUGNN-UHFFFAOYSA-N
XLogP-0.07
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
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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Related Compounds

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987484
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54991982
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204706
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 76204947
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 107480129) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(CCO)CC(F)F)C(N)=NO.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is GODOBMAUUPUGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2/c1-6(8(11)12-15)4-13(2-3-14)5-7(9)10/h6-7,14-15H,2-5H2,1H3,(H2,11,12).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 225.24 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 107480129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).