[5-(4-fluorophenyl)oxolan-2-yl]urea

C11H13FN2O2 — CID 163862675

IUPAC[5-(4-fluorophenyl)oxolan-2-yl]urea
SMILESNC(=O)NC1CCC(c2ccc(F)cc2)O1
InChIInChI=1S/C11H13FN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)14-11(13)15/h1-4,9-10H,5-6H2,(H3,13,14,15)
InChIKeyPDXJXUOKWQQVKH-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.67
Rot. Bonds2

About [5-(4-fluorophenyl)oxolan-2-yl]urea

[5-(4-fluorophenyl)oxolan-2-yl]urea (PubChem CID 163862675) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is [5-(4-fluorophenyl)oxolan-2-yl]urea.

Molecular Properties

Compound Name[5-(4-fluorophenyl)oxolan-2-yl]urea
PubChem CID163862675
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name[5-(4-fluorophenyl)oxolan-2-yl]urea
SMILESNC(=O)NC1CCC(c2ccc(F)cc2)O1
InChIInChI=1S/C11H13FN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)14-11(13)15/h1-4,9-10H,5-6H2,(H3,13,14,15)
InChIKeyPDXJXUOKWQQVKH-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)oxolan-2-yl]urea?
The IUPAC name of [5-(4-fluorophenyl)oxolan-2-yl]urea (CID 163862675) is [5-(4-fluorophenyl)oxolan-2-yl]urea.
What is the SMILES notation for [5-(4-fluorophenyl)oxolan-2-yl]urea?
The canonical SMILES for [5-(4-fluorophenyl)oxolan-2-yl]urea is NC(=O)NC1CCC(c2ccc(F)cc2)O1.
What is the InChIKey of [5-(4-fluorophenyl)oxolan-2-yl]urea?
The InChIKey is PDXJXUOKWQQVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)14-11(13)15/h1-4,9-10H,5-6H2,(H3,13,14,15).
What are the key properties of [5-(4-fluorophenyl)oxolan-2-yl]urea?
[5-(4-fluorophenyl)oxolan-2-yl]urea has a molecular weight of 224.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)oxolan-2-yl]urea is sourced from PubChem (CID 163862675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).