2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine

C9H10F2N4O — CID 2342685

IUPAC2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OC(F)F
InChIInChI=1S/C9H10F2N4O/c10-8(11)16-7-4-2-1-3-6(7)5-14-15-9(12)13/h1-5,8H,(H4,12,13,15)
InChIKeyUNYUBBYZANTKSE-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.90
Rot. Bonds4

About 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine

2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine (PubChem CID 2342685) has the molecular formula C9H10F2N4O and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine
PubChem CID2342685
Molecular FormulaC9H10F2N4O
Molecular Weight228.20 g/mol
Exact Mass228.08
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OC(F)F
InChIInChI=1S/C9H10F2N4O/c10-8(11)16-7-4-2-1-3-6(7)5-14-15-9(12)13/h1-5,8H,(H4,12,13,15)
InChIKeyUNYUBBYZANTKSE-UHFFFAOYSA-N
XLogP0.90
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine (CID 2342685) is 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine?
The InChIKey is UNYUBBYZANTKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O/c10-8(11)16-7-4-2-1-3-6(7)5-14-15-9(12)13/h1-5,8H,(H4,12,13,15).
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine?
2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine has a molecular weight of 228.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 2342685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).