1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine

C13H15FN4 — CID 25050580

IUPAC1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine
SMILESN#CN(CCF)/C(N)=N/C1CCc2ccccc21
InChIInChI=1S/C13H15FN4/c14-7-8-18(9-15)13(16)17-12-6-5-10-3-1-2-4-11(10)12/h1-4,12H,5-8H2,(H2,16,17)
InChIKeyOHRJZFMBSJXRNS-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.74
Rot. Bonds3

About 1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine

1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine (PubChem CID 25050580) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine
PubChem CID25050580
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine
SMILESN#CN(CCF)/C(N)=N/C1CCc2ccccc21
InChIInChI=1S/C13H15FN4/c14-7-8-18(9-15)13(16)17-12-6-5-10-3-1-2-4-11(10)12/h1-4,12H,5-8H2,(H2,16,17)
InChIKeyOHRJZFMBSJXRNS-UHFFFAOYSA-N
XLogP1.74
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
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-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine?
The IUPAC name of 1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine (CID 25050580) is 1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine.
What is the SMILES notation for 1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine?
The canonical SMILES for 1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine is N#CN(CCF)/C(N)=N/C1CCc2ccccc21.
What is the InChIKey of 1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine?
The InChIKey is OHRJZFMBSJXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-7-8-18(9-15)13(16)17-12-6-5-10-3-1-2-4-11(10)12/h1-4,12H,5-8H2,(H2,16,17).
What are the key properties of 1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine?
1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine has a molecular weight of 246.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2,3-dihydro-1H-inden-1-yl)-1-(2-fluoroethyl)guanidine is sourced from PubChem (CID 25050580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).