1-cyano-2-(2,5-difluorophenyl)guanidine

C8H6F2N4 — CID 18770604

IUPAC1-cyano-2-(2,5-difluorophenyl)guanidine
SMILESN#CN/C(N)=N/c1cc(F)ccc1F
InChIInChI=1S/C8H6F2N4/c9-5-1-2-6(10)7(3-5)14-8(12)13-4-11/h1-3H,(H3,12,13,14)
InChIKeyVQLFKUKQPFYXHQ-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.98
Rot. Bonds1

About 1-cyano-2-(2,5-difluorophenyl)guanidine

1-cyano-2-(2,5-difluorophenyl)guanidine (PubChem CID 18770604) has the molecular formula C8H6F2N4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 1-cyano-2-(2,5-difluorophenyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(2,5-difluorophenyl)guanidine
PubChem CID18770604
Molecular FormulaC8H6F2N4
Molecular Weight196.16 g/mol
Exact Mass196.06
IUPAC Name1-cyano-2-(2,5-difluorophenyl)guanidine
SMILESN#CN/C(N)=N/c1cc(F)ccc1F
InChIInChI=1S/C8H6F2N4/c9-5-1-2-6(10)7(3-5)14-8(12)13-4-11/h1-3H,(H3,12,13,14)
InChIKeyVQLFKUKQPFYXHQ-UHFFFAOYSA-N
XLogP0.98
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(2,5-difluorophenyl)guanidine?
The IUPAC name of 1-cyano-2-(2,5-difluorophenyl)guanidine (CID 18770604) is 1-cyano-2-(2,5-difluorophenyl)guanidine.
What is the SMILES notation for 1-cyano-2-(2,5-difluorophenyl)guanidine?
The canonical SMILES for 1-cyano-2-(2,5-difluorophenyl)guanidine is N#CN/C(N)=N/c1cc(F)ccc1F.
What is the InChIKey of 1-cyano-2-(2,5-difluorophenyl)guanidine?
The InChIKey is VQLFKUKQPFYXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4/c9-5-1-2-6(10)7(3-5)14-8(12)13-4-11/h1-3H,(H3,12,13,14).
What are the key properties of 1-cyano-2-(2,5-difluorophenyl)guanidine?
1-cyano-2-(2,5-difluorophenyl)guanidine has a molecular weight of 196.16 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2,5-difluorophenyl)guanidine is sourced from PubChem (CID 18770604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).