5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide

C8H17F2N3O2 — CID 106177200

IUPAC5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNCC(F)(F)CO)=NO
InChIInChI=1S/C8H17F2N3O2/c9-8(10,6-14)5-12-4-2-1-3-7(11)13-15/h12,14-15H,1-6H2,(H2,11,13)
InChIKeyJODNZJMLULVLHZ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.12
Rot. Bonds8

About 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide

5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide (PubChem CID 106177200) has the molecular formula C8H17F2N3O2 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide
PubChem CID106177200
Molecular FormulaC8H17F2N3O2
Molecular Weight225.24 g/mol
Exact Mass225.13
IUPAC Name5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNCC(F)(F)CO)=NO
InChIInChI=1S/C8H17F2N3O2/c9-8(10,6-14)5-12-4-2-1-3-7(11)13-15/h12,14-15H,1-6H2,(H2,11,13)
InChIKeyJODNZJMLULVLHZ-UHFFFAOYSA-N
XLogP0.12
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.12
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-[(3-hydroxybutylamino)methyl]propanimidamide
CID 103369898
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2-methylpropyl)amino]methyl]propanimidamide
CID 103369900
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]propanimidamide
CID 103370078
N'-hydroxy-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanimidamide
CID 105646676
5-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxypentanimidamide
CID 105646716
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide
CID 106177182
6-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106177189
3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide
CID 106177190
2-[1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 106177195
4-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106177198
4-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxybutanimidamide
CID 106177202

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide (CID 106177200) is 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide is NC(CCCCNCC(F)(F)CO)=NO.
What is the InChIKey of 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is JODNZJMLULVLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2/c9-8(10,6-14)5-12-4-2-1-3-7(11)13-15/h12,14-15H,1-6H2,(H2,11,13).
What are the key properties of 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide?
5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 225.24 g/mol, XLogP of 0.12, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 106177200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).