(2-fluorophenyl)methoxyurea

C8H9FN2O2 — CID 1484513

IUPAC(2-fluorophenyl)methoxyurea
SMILESNC(=O)NOCc1ccccc1F
InChIInChI=1S/C8H9FN2O2/c9-7-4-2-1-3-6(7)5-13-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyVMTZSWIBXPUBEI-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.93
Rot. Bonds3

About (2-fluorophenyl)methoxyurea

(2-fluorophenyl)methoxyurea (PubChem CID 1484513) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (2-fluorophenyl)methoxyurea.

Molecular Properties

Compound Name(2-fluorophenyl)methoxyurea
PubChem CID1484513
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(2-fluorophenyl)methoxyurea
SMILESNC(=O)NOCc1ccccc1F
InChIInChI=1S/C8H9FN2O2/c9-7-4-2-1-3-6(7)5-13-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyVMTZSWIBXPUBEI-UHFFFAOYSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methoxyurea?
The IUPAC name of (2-fluorophenyl)methoxyurea (CID 1484513) is (2-fluorophenyl)methoxyurea.
What is the SMILES notation for (2-fluorophenyl)methoxyurea?
The canonical SMILES for (2-fluorophenyl)methoxyurea is NC(=O)NOCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methoxyurea?
The InChIKey is VMTZSWIBXPUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-7-4-2-1-3-6(7)5-13-11-8(10)12/h1-4H,5H2,(H3,10,11,12).
What are the key properties of (2-fluorophenyl)methoxyurea?
(2-fluorophenyl)methoxyurea has a molecular weight of 184.17 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methoxyurea is sourced from PubChem (CID 1484513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).