[(E)-2,2-difluoroethylideneamino]urea

C3H5F2N3O — CID 55290636

IUPAC[(E)-2,2-difluoroethylideneamino]urea
SMILESNC(=O)N/N=C/C(F)F
InChIInChI=1S/C3H5F2N3O/c4-2(5)1-7-8-3(6)9/h1-2H,(H3,6,8,9)/b7-1+
InChIKeyRTKOOTKCOGYKOO-LREOWRDNSA-N
MW137.09 g/mol
LogP-0.09
Rot. Bonds2

About [(E)-2,2-difluoroethylideneamino]urea

[(E)-2,2-difluoroethylideneamino]urea (PubChem CID 55290636) has the molecular formula C3H5F2N3O and a molecular weight of 137.09 g/mol. Its IUPAC name is [(E)-2,2-difluoroethylideneamino]urea.

Molecular Properties

Compound Name[(E)-2,2-difluoroethylideneamino]urea
PubChem CID55290636
Molecular FormulaC3H5F2N3O
Molecular Weight137.09 g/mol
Exact Mass137.04
IUPAC Name[(E)-2,2-difluoroethylideneamino]urea
SMILESNC(=O)N/N=C/C(F)F
InChIInChI=1S/C3H5F2N3O/c4-2(5)1-7-8-3(6)9/h1-2H,(H3,6,8,9)/b7-1+
InChIKeyRTKOOTKCOGYKOO-LREOWRDNSA-N
XLogP-0.09
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.09
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2,2-difluoroethylideneamino]urea?
The IUPAC name of [(E)-2,2-difluoroethylideneamino]urea (CID 55290636) is [(E)-2,2-difluoroethylideneamino]urea.
What is the SMILES notation for [(E)-2,2-difluoroethylideneamino]urea?
The canonical SMILES for [(E)-2,2-difluoroethylideneamino]urea is NC(=O)N/N=C/C(F)F.
What is the InChIKey of [(E)-2,2-difluoroethylideneamino]urea?
The InChIKey is RTKOOTKCOGYKOO-LREOWRDNSA-N. The full InChI is InChI=1S/C3H5F2N3O/c4-2(5)1-7-8-3(6)9/h1-2H,(H3,6,8,9)/b7-1+.
What are the key properties of [(E)-2,2-difluoroethylideneamino]urea?
[(E)-2,2-difluoroethylideneamino]urea has a molecular weight of 137.09 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,2-difluoroethylideneamino]urea is sourced from PubChem (CID 55290636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).