2-(2,5-difluoro-4-nitrophenoxy)butanimidamide

C10H11F2N3O3 — CID 55217610

IUPAC2-(2,5-difluoro-4-nitrophenoxy)butanimidamide
SMILES[H]/N=C(\N)C(CC)Oc1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H11F2N3O3/c1-2-8(10(13)14)18-9-4-5(11)7(15(16)17)3-6(9)12/h3-4,8H,2H2,1H3,(H3,13,14)
InChIKeySVJVZBPPXINSHR-UHFFFAOYSA-N
MW259.21 g/mol
LogP1.97
Rot. Bonds5

About 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide

2-(2,5-difluoro-4-nitrophenoxy)butanimidamide (PubChem CID 55217610) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide.

Molecular Properties

Compound Name2-(2,5-difluoro-4-nitrophenoxy)butanimidamide
PubChem CID55217610
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name2-(2,5-difluoro-4-nitrophenoxy)butanimidamide
SMILES[H]/N=C(\N)C(CC)Oc1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H11F2N3O3/c1-2-8(10(13)14)18-9-4-5(11)7(15(16)17)3-6(9)12/h3-4,8H,2H2,1H3,(H3,13,14)
InChIKeySVJVZBPPXINSHR-UHFFFAOYSA-N
XLogP1.97
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluoro-4-nitrophenoxy)-N'-hydroxybutanimidamide
CID 55217418
2-[(2,5-difluoro-4-nitrophenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103371050
5-(2,5-difluoro-4-nitrophenoxy)-2,2-dimethylpentanimidamide
CID 65258662
2-(5-bromo-2,3-difluorophenoxy)butanimidamide
CID 107099813
4-(2,5-difluoro-4-nitrophenoxy)pentan-2-one
CID 64697339
2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
CID 63599016
ethyl 2-amino-3-(2,5-difluoro-4-nitrophenoxy)propanoate
CID 63598668
1-[2-(bromomethyl)butoxy]-2,5-difluoro-4-nitrobenzene
CID 64995469
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-(2,5-difluoro-4-nitrophenoxy)-2-ethoxybutanoic acid
CID 63599027
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551129
3-(2,5-difluoro-4-nitrophenoxy)propan-1-ol
CID 63597608

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide?
The IUPAC name of 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide (CID 55217610) is 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide.
What is the SMILES notation for 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide?
The canonical SMILES for 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide is [H]/N=C(\N)C(CC)Oc1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide?
The InChIKey is SVJVZBPPXINSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c1-2-8(10(13)14)18-9-4-5(11)7(15(16)17)3-6(9)12/h3-4,8H,2H2,1H3,(H3,13,14).
What are the key properties of 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide?
2-(2,5-difluoro-4-nitrophenoxy)butanimidamide has a molecular weight of 259.21 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-nitrophenoxy)butanimidamide is sourced from PubChem (CID 55217610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).