3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide

C7H15F2N3O2 — CID 106177199

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC(F)(F)CO)C(N)=NO
InChIInChI=1S/C7H15F2N3O2/c1-5(6(10)12-14)2-11-3-7(8,9)4-13/h5,11,13-14H,2-4H2,1H3,(H2,10,12)
InChIKeyDZHUREKNWXBMKJ-UHFFFAOYSA-N
MW211.21 g/mol
LogP-0.41
Rot. Bonds6

About 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 106177199) has the molecular formula C7H15F2N3O2 and a molecular weight of 211.21 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID106177199
Molecular FormulaC7H15F2N3O2
Molecular Weight211.21 g/mol
Exact Mass211.11
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC(F)(F)CO)C(N)=NO
InChIInChI=1S/C7H15F2N3O2/c1-5(6(10)12-14)2-11-3-7(8,9)4-13/h5,11,13-14H,2-4H2,1H3,(H2,10,12)
InChIKeyDZHUREKNWXBMKJ-UHFFFAOYSA-N
XLogP-0.41
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
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

3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369340
3,3,3-trifluoro-N'-hydroxy-2-[(2-methoxyethylamino)methyl]propanimidamide
CID 103369474
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypropylamino)methyl]propanimidamide
CID 103369608
3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxybutan-2-ylamino)methyl]propanimidamide
CID 103369624
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]propanimidamide
CID 103369625
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]propanimidamide
CID 103369627
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide
CID 103369628
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide
CID 103369629
3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide
CID 103369630
3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxy-2-methylpropyl)amino]methyl]propanimidamide
CID 103369825
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxybutylamino)methyl]propanimidamide
CID 103369898

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 106177199) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide is CC(CNCC(F)(F)CO)C(N)=NO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is DZHUREKNWXBMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O2/c1-5(6(10)12-14)2-11-3-7(8,9)4-13/h5,11,13-14H,2-4H2,1H3,(H2,10,12).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 211.21 g/mol, XLogP of -0.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 106177199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).