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

C6H13F2N3O2 — CID 106177204

IUPAC2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(NCC(F)(F)CO)C(N)=NO
InChIInChI=1S/C6H13F2N3O2/c1-4(5(9)11-13)10-2-6(7,8)3-12/h4,10,12-13H,2-3H2,1H3,(H2,9,11)
InChIKeyFKKOIHPKBPPIBX-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.66
Rot. Bonds5

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

2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 106177204) has the molecular formula C6H13F2N3O2 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide
PubChem CID106177204
Molecular FormulaC6H13F2N3O2
Molecular Weight197.19 g/mol
Exact Mass197.10
IUPAC Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(NCC(F)(F)CO)C(N)=NO
InChIInChI=1S/C6H13F2N3O2/c1-4(5(9)11-13)10-2-6(7,8)3-12/h4,10,12-13H,2-3H2,1H3,(H2,9,11)
InChIKeyFKKOIHPKBPPIBX-UHFFFAOYSA-N
XLogP-0.66
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
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-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide (CID 106177204) is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide is CC(NCC(F)(F)CO)C(N)=NO.
What is the InChIKey of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is FKKOIHPKBPPIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O2/c1-4(5(9)11-13)10-2-6(7,8)3-12/h4,10,12-13H,2-3H2,1H3,(H2,9,11).
What are the key properties of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide?
2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 197.19 g/mol, XLogP of -0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 106177204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).