4-chlorobutanoyl fluoride

C4H6ClFO — CID 55303686

IUPAC4-chlorobutanoyl fluoride
SMILESO=C(F)CCCCl
InChIInChI=1S/C4H6ClFO/c5-3-1-2-4(6)7/h1-3H2
InChIKeyUUVYFWBAHBBICV-UHFFFAOYSA-N
MW124.54 g/mol
LogP1.50
Rot. Bonds3

About 4-chlorobutanoyl fluoride

4-chlorobutanoyl fluoride (PubChem CID 55303686) has the molecular formula C4H6ClFO and a molecular weight of 124.54 g/mol. Its IUPAC name is 4-chlorobutanoyl fluoride.

Molecular Properties

Compound Name4-chlorobutanoyl fluoride
PubChem CID55303686
Molecular FormulaC4H6ClFO
Molecular Weight124.54 g/mol
Exact Mass124.01
IUPAC Name4-chlorobutanoyl fluoride
SMILESO=C(F)CCCCl
InChIInChI=1S/C4H6ClFO/c5-3-1-2-4(6)7/h1-3H2
InChIKeyUUVYFWBAHBBICV-UHFFFAOYSA-N
XLogP1.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.54
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobutanoyl fluoride?
The IUPAC name of 4-chlorobutanoyl fluoride (CID 55303686) is 4-chlorobutanoyl fluoride.
What is the SMILES notation for 4-chlorobutanoyl fluoride?
The canonical SMILES for 4-chlorobutanoyl fluoride is O=C(F)CCCCl.
What is the InChIKey of 4-chlorobutanoyl fluoride?
The InChIKey is UUVYFWBAHBBICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClFO/c5-3-1-2-4(6)7/h1-3H2.
What are the key properties of 4-chlorobutanoyl fluoride?
4-chlorobutanoyl fluoride has a molecular weight of 124.54 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutanoyl fluoride is sourced from PubChem (CID 55303686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).