3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide

C5H10F2N2O2 — CID 82004982

IUPAC3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide
SMILESNC(CCOCC(F)F)=NO
InChIInChI=1S/C5H10F2N2O2/c6-4(7)3-11-2-1-5(8)9-10/h4,10H,1-3H2,(H2,8,9)
InChIKeyWEODIZAIIFUQFY-UHFFFAOYSA-N
MW168.14 g/mol
LogP0.40
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide

3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide (PubChem CID 82004982) has the molecular formula C5H10F2N2O2 and a molecular weight of 168.14 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide
PubChem CID82004982
Molecular FormulaC5H10F2N2O2
Molecular Weight168.14 g/mol
Exact Mass168.07
IUPAC Name3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide
SMILESNC(CCOCC(F)F)=NO
InChIInChI=1S/C5H10F2N2O2/c6-4(7)3-11-2-1-5(8)9-10/h4,10H,1-3H2,(H2,8,9)
InChIKeyWEODIZAIIFUQFY-UHFFFAOYSA-N
XLogP0.40
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide (CID 82004982) is 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide is NC(CCOCC(F)F)=NO.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide?
The InChIKey is WEODIZAIIFUQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2/c6-4(7)3-11-2-1-5(8)9-10/h4,10H,1-3H2,(H2,8,9).
What are the key properties of 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide?
3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide has a molecular weight of 168.14 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 82004982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).