4-fluorobutanoyl chloride

C4H6ClFO — CID 13302102

IUPAC4-fluorobutanoyl chloride
SMILESO=C(Cl)CCCF
InChIInChI=1S/C4H6ClFO/c5-4(7)2-1-3-6/h1-3H2
InChIKeySVBKIWMZUWQUQI-UHFFFAOYSA-N
MW124.54 g/mol
LogP1.50
Rot. Bonds3

About 4-fluorobutanoyl chloride

4-fluorobutanoyl chloride (PubChem CID 13302102) has the molecular formula C4H6ClFO and a molecular weight of 124.54 g/mol. Its IUPAC name is 4-fluorobutanoyl chloride.

Molecular Properties

Compound Name4-fluorobutanoyl chloride
PubChem CID13302102
Molecular FormulaC4H6ClFO
Molecular Weight124.54 g/mol
Exact Mass124.01
IUPAC Name4-fluorobutanoyl chloride
SMILESO=C(Cl)CCCF
InChIInChI=1S/C4H6ClFO/c5-4(7)2-1-3-6/h1-3H2
InChIKeySVBKIWMZUWQUQI-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobutanoyl chloride?
The IUPAC name of 4-fluorobutanoyl chloride (CID 13302102) is 4-fluorobutanoyl chloride.
What is the SMILES notation for 4-fluorobutanoyl chloride?
The canonical SMILES for 4-fluorobutanoyl chloride is O=C(Cl)CCCF.
What is the InChIKey of 4-fluorobutanoyl chloride?
The InChIKey is SVBKIWMZUWQUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClFO/c5-4(7)2-1-3-6/h1-3H2.
What are the key properties of 4-fluorobutanoyl chloride?
4-fluorobutanoyl chloride 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-fluorobutanoyl chloride is sourced from PubChem (CID 13302102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).