2-[3-(4-fluorophenyl)phenyl]guanidine

C13H12FN3 — CID 59851857

IUPAC2-[3-(4-fluorophenyl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H12FN3/c14-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17-13(15)16/h1-8H,(H4,15,16,17)
InChIKeyHUFZWVQRVFYWNU-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.40
Rot. Bonds2

About 2-[3-(4-fluorophenyl)phenyl]guanidine

2-[3-(4-fluorophenyl)phenyl]guanidine (PubChem CID 59851857) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)phenyl]guanidine
PubChem CID59851857
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name2-[3-(4-fluorophenyl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H12FN3/c14-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17-13(15)16/h1-8H,(H4,15,16,17)
InChIKeyHUFZWVQRVFYWNU-UHFFFAOYSA-N
XLogP2.40
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-[3-(4-fluorophenyl)phenyl]guanidine?
The IUPAC name of 2-[3-(4-fluorophenyl)phenyl]guanidine (CID 59851857) is 2-[3-(4-fluorophenyl)phenyl]guanidine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)phenyl]guanidine?
The canonical SMILES for 2-[3-(4-fluorophenyl)phenyl]guanidine is NC(N)=Nc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)phenyl]guanidine?
The InChIKey is HUFZWVQRVFYWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c14-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17-13(15)16/h1-8H,(H4,15,16,17).
What are the key properties of 2-[3-(4-fluorophenyl)phenyl]guanidine?
2-[3-(4-fluorophenyl)phenyl]guanidine has a molecular weight of 229.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)phenyl]guanidine is sourced from PubChem (CID 59851857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).