4-iodobutanoyl chloride

C4H6ClIO — CID 19909499

IUPAC4-iodobutanoyl chloride
SMILESO=C(Cl)CCCI
InChIInChI=1S/C4H6ClIO/c5-4(7)2-1-3-6/h1-3H2
InChIKeyHTZUFPVRYVJJJZ-UHFFFAOYSA-N
MW232.45 g/mol
LogP1.97
Rot. Bonds3

About 4-iodobutanoyl chloride

4-iodobutanoyl chloride (PubChem CID 19909499) has the molecular formula C4H6ClIO and a molecular weight of 232.45 g/mol. Its IUPAC name is 4-iodobutanoyl chloride.

Molecular Properties

Compound Name4-iodobutanoyl chloride
PubChem CID19909499
Molecular FormulaC4H6ClIO
Molecular Weight232.45 g/mol
Exact Mass231.92
IUPAC Name4-iodobutanoyl chloride
SMILESO=C(Cl)CCCI
InChIInChI=1S/C4H6ClIO/c5-4(7)2-1-3-6/h1-3H2
InChIKeyHTZUFPVRYVJJJZ-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

CID 14069454
CID 14069454
CID 15337131
CID 15337131
CID 142226674
CID 142226674
CID 21983147
CID 21983147

Frequently Asked Questions

What is the IUPAC name of 4-iodobutanoyl chloride?
The IUPAC name of 4-iodobutanoyl chloride (CID 19909499) is 4-iodobutanoyl chloride.
What is the SMILES notation for 4-iodobutanoyl chloride?
The canonical SMILES for 4-iodobutanoyl chloride is O=C(Cl)CCCI.
What is the InChIKey of 4-iodobutanoyl chloride?
The InChIKey is HTZUFPVRYVJJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClIO/c5-4(7)2-1-3-6/h1-3H2.
What are the key properties of 4-iodobutanoyl chloride?
4-iodobutanoyl chloride 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-iodobutanoyl chloride is sourced from PubChem (CID 19909499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).