3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide

C9H10F2N2O2 — CID 76992494

IUPAC3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
SMILESNC(CCOc1cc(F)ccc1F)=NO
InChIInChI=1S/C9H10F2N2O2/c10-6-1-2-7(11)8(5-6)15-4-3-9(12)13-14/h1-2,5,14H,3-4H2,(H2,12,13)
InChIKeyLUWXQDOSDXDBPE-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.48
Rot. Bonds4

About 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide

3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide (PubChem CID 76992494) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
PubChem CID76992494
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
SMILESNC(CCOc1cc(F)ccc1F)=NO
InChIInChI=1S/C9H10F2N2O2/c10-6-1-2-7(11)8(5-6)15-4-3-9(12)13-14/h1-2,5,14H,3-4H2,(H2,12,13)
InChIKeyLUWXQDOSDXDBPE-UHFFFAOYSA-N
XLogP1.48
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
CID 24694064
3-(2,5-difluorophenoxy)propanimidamide
CID 63269341
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide
CID 55068583
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776
4-[2-(2,5-difluorophenoxy)ethoxy]benzenecarbothioamide
CID 63269646
5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
CID 54965707
N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
CID 63268657
3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide
CID 81331314
1,4-difluoro-2-hexoxybenzene
CID 23437312

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide (CID 76992494) is 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide is NC(CCOc1cc(F)ccc1F)=NO.
What is the InChIKey of 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide?
The InChIKey is LUWXQDOSDXDBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-6-1-2-7(11)8(5-6)15-4-3-9(12)13-14/h1-2,5,14H,3-4H2,(H2,12,13).
What are the key properties of 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide?
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide has a molecular weight of 216.19 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76992494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).