3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide

C9H19F2N3O — CID 107480259

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCO)CC(F)F
InChIInChI=1S/C9H19F2N3O/c1-2-7(5-9(12)13)14(3-4-15)6-8(10)11/h7-8,15H,2-6H2,1H3,(H3,12,13)
InChIKeyHJNFQQGRTSUWNJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.65
Rot. Bonds8

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide (PubChem CID 107480259) has the molecular formula C9H19F2N3O and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
PubChem CID107480259
Molecular FormulaC9H19F2N3O
Molecular Weight223.27 g/mol
Exact Mass223.15
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCO)CC(F)F
InChIInChI=1S/C9H19F2N3O/c1-2-7(5-9(12)13)14(3-4-15)6-8(10)11/h7-8,15H,2-6H2,1H3,(H3,12,13)
InChIKeyHJNFQQGRTSUWNJ-UHFFFAOYSA-N
XLogP0.65
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63224608
3-[Propan-2-yl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803674
3-[Methyl-[2-(trifluoromethoxy)ethyl]amino]butanimidamide
CID 65804093
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369343
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103370626
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]propanimidamide
CID 103370659
2-[[Cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370660
3,3,3-Trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103370662
2-[[Cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370663
2-[[Cyclopentyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370664

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide (CID 107480259) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(CCO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide?
The InChIKey is HJNFQQGRTSUWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N3O/c1-2-7(5-9(12)13)14(3-4-15)6-8(10)11/h7-8,15H,2-6H2,1H3,(H3,12,13).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide has a molecular weight of 223.27 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanimidamide is sourced from PubChem (CID 107480259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).