4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

C8H17F2N3O2 — CID 107480155

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CCO)CC(F)F)=NO
InChIInChI=1S/C8H17F2N3O2/c9-7(10)6-13(4-5-14)3-1-2-8(11)12-15/h7,14-15H,1-6H2,(H2,11,12)
InChIKeyGZXCJTGRGGBRQM-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.07
Rot. Bonds8

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 107480155) has the molecular formula C8H17F2N3O2 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID107480155
Molecular FormulaC8H17F2N3O2
Molecular Weight225.24 g/mol
Exact Mass225.13
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CCO)CC(F)F)=NO
InChIInChI=1S/C8H17F2N3O2/c9-7(10)6-13(4-5-14)3-1-2-8(11)12-15/h7,14-15H,1-6H2,(H2,11,12)
InChIKeyGZXCJTGRGGBRQM-UHFFFAOYSA-N
XLogP0.07
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.07
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'-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'-hydroxypropanimidamide
CID 76205073
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76210947
3-[2,2-difluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76993822
N'-hydroxy-3-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76993945
N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
CID 77028930
N'-hydroxy-3-[2-methoxyethyl(3,3,3-trifluoropropyl)amino]propanimidamide
CID 77047219
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 77100272
N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]butanimidamide
CID 77100295
N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100300

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 107480155) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is NC(CCCN(CCO)CC(F)F)=NO.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is GZXCJTGRGGBRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2/c9-7(10)6-13(4-5-14)3-1-2-8(11)12-15/h7,14-15H,1-6H2,(H2,11,12).
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 225.24 g/mol, XLogP of 0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 107480155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).