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

C6H13F2N3O2 — CID 106177182

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCNCC(F)(F)CO)=NO
InChIInChI=1S/C6H13F2N3O2/c7-6(8,4-12)3-10-2-1-5(9)11-13/h10,12-13H,1-4H2,(H2,9,11)
InChIKeyAETXFDBSMDGNJC-UHFFFAOYSA-N
MW197.18 g/mol
LogP-0.66
Rot. Bonds6

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

3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 106177182) has the molecular formula C6H13F2N3O2 and a molecular weight of 197.18 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide
PubChem CID106177182
Molecular FormulaC6H13F2N3O2
Molecular Weight197.18 g/mol
Exact Mass197.10
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCNCC(F)(F)CO)=NO
InChIInChI=1S/C6H13F2N3O2/c7-6(8,4-12)3-10-2-1-5(9)11-13/h10,12-13H,1-4H2,(H2,9,11)
InChIKeyAETXFDBSMDGNJC-UHFFFAOYSA-N
XLogP-0.66
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(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-hydroxybutylamino)methyl]propanimidamide
CID 103369898
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2-methylpropyl)amino]methyl]propanimidamide
CID 103369900
2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369913
2-[(2,3-dihydroxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369946
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]propanimidamide
CID 103370078
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxybutan-2-ylamino)methyl]propanimidamide
CID 103370111
2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370171
N'-hydroxy-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanimidamide
CID 105646673
3-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxypropanimidamide
CID 105646713

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide (CID 106177182) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide is NC(CCNCC(F)(F)CO)=NO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is AETXFDBSMDGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O2/c7-6(8,4-12)3-10-2-1-5(9)11-13/h10,12-13H,1-4H2,(H2,9,11).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide?
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 197.18 g/mol, XLogP of -0.66, 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'-hydroxypropanimidamide is sourced from PubChem (CID 106177182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).