3-(2,5-difluorophenoxy)propanimidamide

C9H10F2N2O — CID 63269341

IUPAC3-(2,5-difluorophenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1cc(F)ccc1F
InChIInChI=1S/C9H10F2N2O/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H3,12,13)
InChIKeyHPUBGQBMWYSAPQ-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.67
Rot. Bonds4

About 3-(2,5-difluorophenoxy)propanimidamide

3-(2,5-difluorophenoxy)propanimidamide (PubChem CID 63269341) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(2,5-difluorophenoxy)propanimidamide.

Molecular Properties

Compound Name3-(2,5-difluorophenoxy)propanimidamide
PubChem CID63269341
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-(2,5-difluorophenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1cc(F)ccc1F
InChIInChI=1S/C9H10F2N2O/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H3,12,13)
InChIKeyHPUBGQBMWYSAPQ-UHFFFAOYSA-N
XLogP1.67
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoro-5-methylphenoxy)propanimidamide
CID 64853456
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
CID 76992494
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
3-(2,5-difluorophenoxy)propanenitrile
CID 63269641
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776
3-(2,4-difluorophenyl)sulfanylpropanimidamide
CID 43345486
4-[2-(2,5-difluorophenoxy)ethoxy]benzenecarbothioamide
CID 63269646
N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
CID 63268657
3-(2-propan-2-ylphenoxy)propanimidamide
CID 24706101

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenoxy)propanimidamide?
The IUPAC name of 3-(2,5-difluorophenoxy)propanimidamide (CID 63269341) is 3-(2,5-difluorophenoxy)propanimidamide.
What is the SMILES notation for 3-(2,5-difluorophenoxy)propanimidamide?
The canonical SMILES for 3-(2,5-difluorophenoxy)propanimidamide is [H]/N=C(\N)CCOc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenoxy)propanimidamide?
The InChIKey is HPUBGQBMWYSAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H3,12,13).
What are the key properties of 3-(2,5-difluorophenoxy)propanimidamide?
3-(2,5-difluorophenoxy)propanimidamide has a molecular weight of 200.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenoxy)propanimidamide is sourced from PubChem (CID 63269341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).