1-(3-fluorocyclopentyl)-3-methoxyurea

C7H13FN2O2 — CID 130725561

IUPAC1-(3-fluorocyclopentyl)-3-methoxyurea
SMILESCONC(=O)NC1CCC(F)C1
InChIInChI=1S/C7H13FN2O2/c1-12-10-7(11)9-6-3-2-5(8)4-6/h5-6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyAJNDWJAHRVUXTL-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.74
Rot. Bonds2

About 1-(3-fluorocyclopentyl)-3-methoxyurea

1-(3-fluorocyclopentyl)-3-methoxyurea (PubChem CID 130725561) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 1-(3-fluorocyclopentyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(3-fluorocyclopentyl)-3-methoxyurea
PubChem CID130725561
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name1-(3-fluorocyclopentyl)-3-methoxyurea
SMILESCONC(=O)NC1CCC(F)C1
InChIInChI=1S/C7H13FN2O2/c1-12-10-7(11)9-6-3-2-5(8)4-6/h5-6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyAJNDWJAHRVUXTL-UHFFFAOYSA-N
XLogP0.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.74
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 1-(3-fluorocyclopentyl)-3-methoxyurea?
The IUPAC name of 1-(3-fluorocyclopentyl)-3-methoxyurea (CID 130725561) is 1-(3-fluorocyclopentyl)-3-methoxyurea.
What is the SMILES notation for 1-(3-fluorocyclopentyl)-3-methoxyurea?
The canonical SMILES for 1-(3-fluorocyclopentyl)-3-methoxyurea is CONC(=O)NC1CCC(F)C1.
What is the InChIKey of 1-(3-fluorocyclopentyl)-3-methoxyurea?
The InChIKey is AJNDWJAHRVUXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c1-12-10-7(11)9-6-3-2-5(8)4-6/h5-6H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 1-(3-fluorocyclopentyl)-3-methoxyurea?
1-(3-fluorocyclopentyl)-3-methoxyurea has a molecular weight of 176.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclopentyl)-3-methoxyurea is sourced from PubChem (CID 130725561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).