5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide

C9H19F2N3O2 — CID 107480137

IUPAC5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESNC(CCCCN(CCO)CC(F)F)=NO
InChIInChI=1S/C9H19F2N3O2/c10-8(11)7-14(5-6-15)4-2-1-3-9(12)13-16/h8,15-16H,1-7H2,(H2,12,13)
InChIKeyZYDKTDMOIZRZLT-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.46
Rot. Bonds9

About 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide

5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 107480137) has the molecular formula C9H19F2N3O2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
PubChem CID107480137
Molecular FormulaC9H19F2N3O2
Molecular Weight239.27 g/mol
Exact Mass239.14
IUPAC Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESNC(CCCCN(CCO)CC(F)F)=NO
InChIInChI=1S/C9H19F2N3O2/c10-8(11)7-14(5-6-15)4-2-1-3-9(12)13-16/h8,15-16H,1-7H2,(H2,12,13)
InChIKeyZYDKTDMOIZRZLT-UHFFFAOYSA-N
XLogP0.46
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.46
H-Bond Donors ≤ 53
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

N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
CID 77028924
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
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369342
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369343
N'-hydroxy-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanimidamide
CID 105646676
5-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxypentanimidamide
CID 105646716
5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxypentanimidamide
CID 105913751
5-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypentanimidamide
CID 106177200
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 107480129

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (CID 107480137) is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is NC(CCCCN(CCO)CC(F)F)=NO.
What is the InChIKey of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is ZYDKTDMOIZRZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N3O2/c10-8(11)7-14(5-6-15)4-2-1-3-9(12)13-16/h8,15-16H,1-7H2,(H2,12,13).
What are the key properties of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 239.27 g/mol, XLogP of 0.46, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 107480137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).