4-chlorobutanoyl iodide

C4H6ClIO — CID 12715974

IUPAC4-chlorobutanoyl iodide
SMILESO=C(I)CCCCl
InChIInChI=1S/C4H6ClIO/c5-3-1-2-4(6)7/h1-3H2
InChIKeyPHUDHBDUYAFIKN-UHFFFAOYSA-N
MW232.45 g/mol
LogP1.97
Rot. Bonds3

About 4-chlorobutanoyl iodide

4-chlorobutanoyl iodide (PubChem CID 12715974) has the molecular formula C4H6ClIO and a molecular weight of 232.45 g/mol. Its IUPAC name is 4-chlorobutanoyl iodide.

Molecular Properties

Compound Name4-chlorobutanoyl iodide
PubChem CID12715974
Molecular FormulaC4H6ClIO
Molecular Weight232.45 g/mol
Exact Mass231.92
IUPAC Name4-chlorobutanoyl iodide
SMILESO=C(I)CCCCl
InChIInChI=1S/C4H6ClIO/c5-3-1-2-4(6)7/h1-3H2
InChIKeyPHUDHBDUYAFIKN-UHFFFAOYSA-N
XLogP1.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.45
LogP ≤ 51.97
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-Chloropropanoyl iodide
CID 12715995
4-Chloro-2-iodobutanal
CID 19782770
2-Chlorobutanoyl iodide
CID 87199496
3-Chlorobutanoyl iodide
CID 89108829
1-Chloro-4-iodobutan-2-one
CID 89389664
4-Chloro-3-iodobutan-2-one
CID 139893760
5-Chloro-1-iodopentan-2-one
CID 170561726
CID 102094063
CID 102094063

Frequently Asked Questions

What is the IUPAC name of 4-chlorobutanoyl iodide?
The IUPAC name of 4-chlorobutanoyl iodide (CID 12715974) is 4-chlorobutanoyl iodide.
What is the SMILES notation for 4-chlorobutanoyl iodide?
The canonical SMILES for 4-chlorobutanoyl iodide is O=C(I)CCCCl.
What is the InChIKey of 4-chlorobutanoyl iodide?
The InChIKey is PHUDHBDUYAFIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClIO/c5-3-1-2-4(6)7/h1-3H2.
What are the key properties of 4-chlorobutanoyl iodide?
4-chlorobutanoyl iodide has a molecular weight of 232.45 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutanoyl iodide is sourced from PubChem (CID 12715974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).