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

C7H15F2N3O2 — CID 107480143

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CCO)CC(F)F)=NO
InChIInChI=1S/C7H15F2N3O2/c8-6(9)5-12(3-4-13)2-1-7(10)11-14/h6,13-14H,1-5H2,(H2,10,11)
InChIKeyZTHYEUXZOFBCIF-UHFFFAOYSA-N
MW211.21 g/mol
LogP-0.32
Rot. Bonds7

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

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 107480143) has the molecular formula C7H15F2N3O2 and a molecular weight of 211.21 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID107480143
Molecular FormulaC7H15F2N3O2
Molecular Weight211.21 g/mol
Exact Mass211.11
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CCO)CC(F)F)=NO
InChIInChI=1S/C7H15F2N3O2/c8-6(9)5-12(3-4-13)2-1-7(10)11-14/h6,13-14H,1-5H2,(H2,10,11)
InChIKeyZTHYEUXZOFBCIF-UHFFFAOYSA-N
XLogP-0.32
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 5-0.32
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-[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-3-[2-methoxyethyl(3,3,3-trifluoropropyl)amino]propanimidamide
CID 77047219
N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100267
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 77100272
N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100300
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369339
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (CID 107480143) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is NC(CCN(CCO)CC(F)F)=NO.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is ZTHYEUXZOFBCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O2/c8-6(9)5-12(3-4-13)2-1-7(10)11-14/h6,13-14H,1-5H2,(H2,10,11).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 211.21 g/mol, XLogP of -0.32, 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'-hydroxypropanimidamide is sourced from PubChem (CID 107480143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).