N-formyl-2-oxoethanimidoyl fluoride

C3H2FNO2 — CID 123287015

IUPACN-formyl-2-oxoethanimidoyl fluoride
SMILESO=C/N=C(\F)C=O
InChIInChI=1S/C3H2FNO2/c4-3(1-6)5-2-7/h1-2H/b5-3-
InChIKeyIYMCDENRLNTAFV-HYXAFXHYSA-N
MW103.05 g/mol
LogP-0.29
Rot. Bonds2

About N-formyl-2-oxoethanimidoyl fluoride

N-formyl-2-oxoethanimidoyl fluoride (PubChem CID 123287015) has the molecular formula C3H2FNO2 and a molecular weight of 103.05 g/mol. Its IUPAC name is N-formyl-2-oxoethanimidoyl fluoride.

Molecular Properties

Compound NameN-formyl-2-oxoethanimidoyl fluoride
PubChem CID123287015
Molecular FormulaC3H2FNO2
Molecular Weight103.05 g/mol
Exact Mass103.01
IUPAC NameN-formyl-2-oxoethanimidoyl fluoride
SMILESO=C/N=C(\F)C=O
InChIInChI=1S/C3H2FNO2/c4-3(1-6)5-2-7/h1-2H/b5-3-
InChIKeyIYMCDENRLNTAFV-HYXAFXHYSA-N
XLogP-0.29
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.05
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-formyl-2-oxoethanimidoyl fluoride?
The IUPAC name of N-formyl-2-oxoethanimidoyl fluoride (CID 123287015) is N-formyl-2-oxoethanimidoyl fluoride.
What is the SMILES notation for N-formyl-2-oxoethanimidoyl fluoride?
The canonical SMILES for N-formyl-2-oxoethanimidoyl fluoride is O=C/N=C(\F)C=O.
What is the InChIKey of N-formyl-2-oxoethanimidoyl fluoride?
The InChIKey is IYMCDENRLNTAFV-HYXAFXHYSA-N. The full InChI is InChI=1S/C3H2FNO2/c4-3(1-6)5-2-7/h1-2H/b5-3-.
What are the key properties of N-formyl-2-oxoethanimidoyl fluoride?
N-formyl-2-oxoethanimidoyl fluoride has a molecular weight of 103.05 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-oxoethanimidoyl fluoride is sourced from PubChem (CID 123287015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).