(2,6-difluorophenyl)methylideneurea

C8H6F2N2O — CID 152634177

IUPAC(2,6-difluorophenyl)methylideneurea
SMILESNC(=O)N=Cc1c(F)cccc1F
InChIInChI=1S/C8H6F2N2O/c9-6-2-1-3-7(10)5(6)4-12-8(11)13/h1-4H,(H2,11,13)
InChIKeyZEEFFUSUWCBOCT-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.46
Rot. Bonds1

About (2,6-difluorophenyl)methylideneurea

(2,6-difluorophenyl)methylideneurea (PubChem CID 152634177) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is (2,6-difluorophenyl)methylideneurea.

Molecular Properties

Compound Name(2,6-difluorophenyl)methylideneurea
PubChem CID152634177
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(2,6-difluorophenyl)methylideneurea
SMILESNC(=O)N=Cc1c(F)cccc1F
InChIInChI=1S/C8H6F2N2O/c9-6-2-1-3-7(10)5(6)4-12-8(11)13/h1-4H,(H2,11,13)
InChIKeyZEEFFUSUWCBOCT-UHFFFAOYSA-N
XLogP1.46
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2,6-difluorophenyl)methylideneurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)methylideneurea?
The IUPAC name of (2,6-difluorophenyl)methylideneurea (CID 152634177) is (2,6-difluorophenyl)methylideneurea.
What is the SMILES notation for (2,6-difluorophenyl)methylideneurea?
The canonical SMILES for (2,6-difluorophenyl)methylideneurea is NC(=O)N=Cc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)methylideneurea?
The InChIKey is ZEEFFUSUWCBOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-6-2-1-3-7(10)5(6)4-12-8(11)13/h1-4H,(H2,11,13).
What are the key properties of (2,6-difluorophenyl)methylideneurea?
(2,6-difluorophenyl)methylideneurea has a molecular weight of 184.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)methylideneurea is sourced from PubChem (CID 152634177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).