cyclopropanecarbonyl fluoride

C4H5FO — CID 12601608

IUPACcyclopropanecarbonyl fluoride
SMILESO=C(F)C1CC1
InChIInChI=1S/C4H5FO/c5-4(6)3-1-2-3/h3H,1-2H2
InChIKeyLCDMUFGRHDTDAT-UHFFFAOYSA-N
MW88.08 g/mol
LogP0.89
Rot. Bonds1

About cyclopropanecarbonyl fluoride

cyclopropanecarbonyl fluoride (PubChem CID 12601608) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is cyclopropanecarbonyl fluoride.

Molecular Properties

Compound Namecyclopropanecarbonyl fluoride
PubChem CID12601608
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Namecyclopropanecarbonyl fluoride
SMILESO=C(F)C1CC1
InChIInChI=1S/C4H5FO/c5-4(6)3-1-2-3/h3H,1-2H2
InChIKeyLCDMUFGRHDTDAT-UHFFFAOYSA-N
XLogP0.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 50.89
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 cyclopropanecarbonyl fluoride?
The IUPAC name of cyclopropanecarbonyl fluoride (CID 12601608) is cyclopropanecarbonyl fluoride.
What is the SMILES notation for cyclopropanecarbonyl fluoride?
The canonical SMILES for cyclopropanecarbonyl fluoride is O=C(F)C1CC1.
What is the InChIKey of cyclopropanecarbonyl fluoride?
The InChIKey is LCDMUFGRHDTDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO/c5-4(6)3-1-2-3/h3H,1-2H2.
What are the key properties of cyclopropanecarbonyl fluoride?
cyclopropanecarbonyl fluoride has a molecular weight of 88.08 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbonyl fluoride is sourced from PubChem (CID 12601608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).