2-nitroacetyl fluoride

C2H2FNO3 — CID 22614011

IUPAC2-nitroacetyl fluoride
SMILESO=C(F)C[N+](=O)[O-]
InChIInChI=1S/C2H2FNO3/c3-2(5)1-4(6)7/h1H2
InChIKeyIRNYJAAENXHESC-UHFFFAOYSA-N
MW107.04 g/mol
LogP-0.24
Rot. Bonds2

About 2-nitroacetyl fluoride

2-nitroacetyl fluoride (PubChem CID 22614011) has the molecular formula C2H2FNO3 and a molecular weight of 107.04 g/mol. Its IUPAC name is 2-nitroacetyl fluoride.

Molecular Properties

Compound Name2-nitroacetyl fluoride
PubChem CID22614011
Molecular FormulaC2H2FNO3
Molecular Weight107.04 g/mol
Exact Mass107.00
IUPAC Name2-nitroacetyl fluoride
SMILESO=C(F)C[N+](=O)[O-]
InChIInChI=1S/C2H2FNO3/c3-2(5)1-4(6)7/h1H2
InChIKeyIRNYJAAENXHESC-UHFFFAOYSA-N
XLogP-0.24
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.04
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitroacetyl fluoride?
The IUPAC name of 2-nitroacetyl fluoride (CID 22614011) is 2-nitroacetyl fluoride.
What is the SMILES notation for 2-nitroacetyl fluoride?
The canonical SMILES for 2-nitroacetyl fluoride is O=C(F)C[N+](=O)[O-].
What is the InChIKey of 2-nitroacetyl fluoride?
The InChIKey is IRNYJAAENXHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2FNO3/c3-2(5)1-4(6)7/h1H2.
What are the key properties of 2-nitroacetyl fluoride?
2-nitroacetyl fluoride has a molecular weight of 107.04 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroacetyl fluoride is sourced from PubChem (CID 22614011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).