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

C5H11F2N3O2 — CID 106177206

IUPAC2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CNCC(F)(F)CO)=NO
InChIInChI=1S/C5H11F2N3O2/c6-5(7,3-11)2-9-1-4(8)10-12/h9,11-12H,1-3H2,(H2,8,10)
InChIKeyALWOHOYJZCJDSF-UHFFFAOYSA-N
MW183.16 g/mol
LogP-1.05
Rot. Bonds5

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

2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide (PubChem CID 106177206) has the molecular formula C5H11F2N3O2 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide
PubChem CID106177206
Molecular FormulaC5H11F2N3O2
Molecular Weight183.16 g/mol
Exact Mass183.08
IUPAC Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CNCC(F)(F)CO)=NO
InChIInChI=1S/C5H11F2N3O2/c6-5(7,3-11)2-9-1-4(8)10-12/h9,11-12H,1-3H2,(H2,8,10)
InChIKeyALWOHOYJZCJDSF-UHFFFAOYSA-N
XLogP-1.05
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-1.05
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'-hydroxyethanimidamide?
The IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide (CID 106177206) is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide is NC(CNCC(F)(F)CO)=NO.
What is the InChIKey of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is ALWOHOYJZCJDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3O2/c6-5(7,3-11)2-9-1-4(8)10-12/h9,11-12H,1-3H2,(H2,8,10).
What are the key properties of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide?
2-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 183.16 g/mol, XLogP of -1.05, 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'-hydroxyethanimidamide is sourced from PubChem (CID 106177206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).