N-cyano-N'-(2-fluoroethyl)ethanimidamide

C5H8FN3 — CID 55300878

IUPACN-cyano-N'-(2-fluoroethyl)ethanimidamide
SMILESC/C(=N\CCF)NC#N
InChIInChI=1S/C5H8FN3/c1-5(9-4-7)8-3-2-6/h2-3H2,1H3,(H,8,9)
InChIKeyXEVOBPJYMRMAAR-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.44
Rot. Bonds2

About N-cyano-N'-(2-fluoroethyl)ethanimidamide

N-cyano-N'-(2-fluoroethyl)ethanimidamide (PubChem CID 55300878) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is N-cyano-N'-(2-fluoroethyl)ethanimidamide.

Molecular Properties

Compound NameN-cyano-N'-(2-fluoroethyl)ethanimidamide
PubChem CID55300878
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC NameN-cyano-N'-(2-fluoroethyl)ethanimidamide
SMILESC/C(=N\CCF)NC#N
InChIInChI=1S/C5H8FN3/c1-5(9-4-7)8-3-2-6/h2-3H2,1H3,(H,8,9)
InChIKeyXEVOBPJYMRMAAR-UHFFFAOYSA-N
XLogP0.44
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.44
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 N-cyano-N'-(2-fluoroethyl)ethanimidamide?
The IUPAC name of N-cyano-N'-(2-fluoroethyl)ethanimidamide (CID 55300878) is N-cyano-N'-(2-fluoroethyl)ethanimidamide.
What is the SMILES notation for N-cyano-N'-(2-fluoroethyl)ethanimidamide?
The canonical SMILES for N-cyano-N'-(2-fluoroethyl)ethanimidamide is C/C(=N\CCF)NC#N.
What is the InChIKey of N-cyano-N'-(2-fluoroethyl)ethanimidamide?
The InChIKey is XEVOBPJYMRMAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-5(9-4-7)8-3-2-6/h2-3H2,1H3,(H,8,9).
What are the key properties of N-cyano-N'-(2-fluoroethyl)ethanimidamide?
N-cyano-N'-(2-fluoroethyl)ethanimidamide has a molecular weight of 129.14 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-(2-fluoroethyl)ethanimidamide is sourced from PubChem (CID 55300878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).