[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea

C9H9F2N3O2 — CID 6893513

IUPAC[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C9H9F2N3O2/c10-8(11)16-7-3-1-6(2-4-7)5-13-14-9(12)15/h1-5,8H,(H3,12,14,15)/b13-5+
InChIKeyAUWOPSFQGPVGFE-WLRTZDKTSA-N
MW229.19 g/mol
LogP1.29
Rot. Bonds4

About [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea

[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea (PubChem CID 6893513) has the molecular formula C9H9F2N3O2 and a molecular weight of 229.19 g/mol. Its IUPAC name is [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea
PubChem CID6893513
Molecular FormulaC9H9F2N3O2
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C9H9F2N3O2/c10-8(11)16-7-3-1-6(2-4-7)5-13-14-9(12)15/h1-5,8H,(H3,12,14,15)/b13-5+
InChIKeyAUWOPSFQGPVGFE-WLRTZDKTSA-N
XLogP1.29
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea (CID 6893513) is [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea is NC(=O)N/N=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea?
The InChIKey is AUWOPSFQGPVGFE-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H9F2N3O2/c10-8(11)16-7-3-1-6(2-4-7)5-13-14-9(12)15/h1-5,8H,(H3,12,14,15)/b13-5+.
What are the key properties of [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea?
[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea has a molecular weight of 229.19 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(difluoromethoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 6893513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).