1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea

C13H10F2N2O2 — CID 90718032

IUPAC1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea
SMILESNC(=O)N(Oc1ccccc1F)c1ccccc1F
InChIInChI=1S/C13H10F2N2O2/c14-9-5-1-3-7-11(9)17(13(16)18)19-12-8-4-2-6-10(12)15/h1-8H,(H2,16,18)
InChIKeySJLRMJAXHLKRTQ-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea

1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea (PubChem CID 90718032) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea
PubChem CID90718032
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea
SMILESNC(=O)N(Oc1ccccc1F)c1ccccc1F
InChIInChI=1S/C13H10F2N2O2/c14-9-5-1-3-7-11(9)17(13(16)18)19-12-8-4-2-6-10(12)15/h1-8H,(H2,16,18)
InChIKeySJLRMJAXHLKRTQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
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-(2-fluorophenoxy)-1-(2-fluorophenyl)urea?
The IUPAC name of 1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea (CID 90718032) is 1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea?
The canonical SMILES for 1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea is NC(=O)N(Oc1ccccc1F)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea?
The InChIKey is SJLRMJAXHLKRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-9-5-1-3-7-11(9)17(13(16)18)19-12-8-4-2-6-10(12)15/h1-8H,(H2,16,18).
What are the key properties of 1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea?
1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea has a molecular weight of 264.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-1-(2-fluorophenyl)urea is sourced from PubChem (CID 90718032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).