1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea

C7H9FN2O3 — CID 88522234

IUPAC1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea
SMILESNC(=O)N(O)CCc1ccc(F)o1
InChIInChI=1S/C7H9FN2O3/c8-6-2-1-5(13-6)3-4-10(12)7(9)11/h1-2,12H,3-4H2,(H2,9,11)
InChIKeyNNZUOYSAVXQLFF-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.73
Rot. Bonds3

About 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea

1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea (PubChem CID 88522234) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea
PubChem CID88522234
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea
SMILESNC(=O)N(O)CCc1ccc(F)o1
InChIInChI=1S/C7H9FN2O3/c8-6-2-1-5(13-6)3-4-10(12)7(9)11/h1-2,12H,3-4H2,(H2,9,11)
InChIKeyNNZUOYSAVXQLFF-UHFFFAOYSA-N
XLogP0.73
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea (CID 88522234) is 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea is NC(=O)N(O)CCc1ccc(F)o1.
What is the InChIKey of 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea?
The InChIKey is NNZUOYSAVXQLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c8-6-2-1-5(13-6)3-4-10(12)7(9)11/h1-2,12H,3-4H2,(H2,9,11).
What are the key properties of 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea?
1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea has a molecular weight of 188.16 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluorofuran-2-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 88522234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).