acetyl fluoride;hydrochloride

C2H4ClFO — CID 157205007

IUPACacetyl fluoride;hydrochloride
SMILESCC(=O)F.Cl
InChIInChI=1S/C2H3FO.ClH/c1-2(3)4;/h1H3;1H
InChIKeyPPUVKJRLDUHQGV-UHFFFAOYSA-N
MW98.50 g/mol
LogP0.92
Rot. Bonds

About acetyl fluoride;hydrochloride

acetyl fluoride;hydrochloride (PubChem CID 157205007) has the molecular formula C2H4ClFO and a molecular weight of 98.50 g/mol. Its IUPAC name is acetyl fluoride;hydrochloride.

Molecular Properties

Compound Nameacetyl fluoride;hydrochloride
PubChem CID157205007
Molecular FormulaC2H4ClFO
Molecular Weight98.50 g/mol
Exact Mass97.99
IUPAC Nameacetyl fluoride;hydrochloride
SMILESCC(=O)F.Cl
InChIInChI=1S/C2H3FO.ClH/c1-2(3)4;/h1H3;1H
InChIKeyPPUVKJRLDUHQGV-UHFFFAOYSA-N
XLogP0.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.50
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyl fluoride;hydrochloride?
The IUPAC name of acetyl fluoride;hydrochloride (CID 157205007) is acetyl fluoride;hydrochloride.
What is the SMILES notation for acetyl fluoride;hydrochloride?
The canonical SMILES for acetyl fluoride;hydrochloride is CC(=O)F.Cl.
What is the InChIKey of acetyl fluoride;hydrochloride?
The InChIKey is PPUVKJRLDUHQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FO.ClH/c1-2(3)4;/h1H3;1H.
What are the key properties of acetyl fluoride;hydrochloride?
acetyl fluoride;hydrochloride has a molecular weight of 98.50 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl fluoride;hydrochloride is sourced from PubChem (CID 157205007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).