1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine

C10H11FN4 — CID 142011632

IUPAC1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine
SMILESN#CN/C(N)=N/CCc1ccc(F)cc1
InChIInChI=1S/C10H11FN4/c11-9-3-1-8(2-4-9)5-6-14-10(13)15-7-12/h1-4H,5-6H2,(H3,13,14,15)
InChIKeyJENMMPVSXADGIV-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.75
Rot. Bonds3

About 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine

1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine (PubChem CID 142011632) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine
PubChem CID142011632
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine
SMILESN#CN/C(N)=N/CCc1ccc(F)cc1
InChIInChI=1S/C10H11FN4/c11-9-3-1-8(2-4-9)5-6-14-10(13)15-7-12/h1-4H,5-6H2,(H3,13,14,15)
InChIKeyJENMMPVSXADGIV-UHFFFAOYSA-N
XLogP0.75
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.75
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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Related Compounds

2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009
2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912022
1,3-diethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 110924914
2-[2-(4-fluorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111025535
2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine
CID 7197410
2-[4-(4-fluorophenyl)butyl]guanidine
CID 95440579
(4-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
CID 660446
2-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
CID 118466379
2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine
CID 62616143
1-cyano-2-(2,2-diphenylethyl)guanidine
CID 142011471
1-cyano-2-(2,5-difluorophenyl)guanidine
CID 18770604
1-cyano-2-[2-(2,5-dimethoxyphenyl)ethyl]guanidine
CID 142011662

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine?
The IUPAC name of 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine (CID 142011632) is 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine is N#CN/C(N)=N/CCc1ccc(F)cc1.
What is the InChIKey of 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine?
The InChIKey is JENMMPVSXADGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-9-3-1-8(2-4-9)5-6-14-10(13)15-7-12/h1-4H,5-6H2,(H3,13,14,15).
What are the key properties of 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine?
1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine has a molecular weight of 206.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 142011632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).