1-cyano-N'-fluoromethanimidamide

C2H2FN3 — CID 23233998

IUPAC1-cyano-N'-fluoromethanimidamide
SMILESN#CC(N)=NF
InChIInChI=1S/C2H2FN3/c3-6-2(5)1-4/h(H2,5,6)
InChIKeyRZBJONRNUKMLGU-UHFFFAOYSA-N
MW87.06 g/mol
LogP-0.25
Rot. Bonds

About 1-cyano-N'-fluoromethanimidamide

1-cyano-N'-fluoromethanimidamide (PubChem CID 23233998) has the molecular formula C2H2FN3 and a molecular weight of 87.06 g/mol. Its IUPAC name is 1-cyano-N'-fluoromethanimidamide.

Molecular Properties

Compound Name1-cyano-N'-fluoromethanimidamide
PubChem CID23233998
Molecular FormulaC2H2FN3
Molecular Weight87.06 g/mol
Exact Mass87.02
IUPAC Name1-cyano-N'-fluoromethanimidamide
SMILESN#CC(N)=NF
InChIInChI=1S/C2H2FN3/c3-6-2(5)1-4/h(H2,5,6)
InChIKeyRZBJONRNUKMLGU-UHFFFAOYSA-N
XLogP-0.25
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.06
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-cyano-N'-fluoromethanimidamide?
The IUPAC name of 1-cyano-N'-fluoromethanimidamide (CID 23233998) is 1-cyano-N'-fluoromethanimidamide.
What is the SMILES notation for 1-cyano-N'-fluoromethanimidamide?
The canonical SMILES for 1-cyano-N'-fluoromethanimidamide is N#CC(N)=NF.
What is the InChIKey of 1-cyano-N'-fluoromethanimidamide?
The InChIKey is RZBJONRNUKMLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2FN3/c3-6-2(5)1-4/h(H2,5,6).
What are the key properties of 1-cyano-N'-fluoromethanimidamide?
1-cyano-N'-fluoromethanimidamide has a molecular weight of 87.06 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N'-fluoromethanimidamide is sourced from PubChem (CID 23233998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).