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

C7H15F2N3O2 — CID 107480156

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(CCO)CC(F)F
InChIInChI=1S/C7H15F2N3O2/c1-5(7(10)11-14)12(2-3-13)4-6(8)9/h5-6,13-14H,2-4H2,1H3,(H2,10,11)
InChIKeyYIWJPSQRMJLXME-UHFFFAOYSA-N
MW211.21 g/mol
LogP-0.32
Rot. Bonds6

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

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 107480156) has the molecular formula C7H15F2N3O2 and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID107480156
Molecular FormulaC7H15F2N3O2
Molecular Weight211.21 g/mol
Exact Mass211.11
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(CCO)CC(F)F
InChIInChI=1S/C7H15F2N3O2/c1-5(7(10)11-14)12(2-3-13)4-6(8)9/h5-6,13-14H,2-4H2,1H3,(H2,10,11)
InChIKeyYIWJPSQRMJLXME-UHFFFAOYSA-N
XLogP-0.32
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (CID 107480156) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is YIWJPSQRMJLXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O2/c1-5(7(10)11-14)12(2-3-13)4-6(8)9/h5-6,13-14H,2-4H2,1H3,(H2,10,11).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 211.21 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 107480156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).