2-iodohexanoyl chloride

C6H10ClIO — CID 24977367

IUPAC2-iodohexanoyl chloride
SMILESCCCCC(I)C(=O)Cl
InChIInChI=1S/C6H10ClIO/c1-2-3-4-5(8)6(7)9/h5H,2-4H2,1H3
InChIKeyLOYFAZNNQFGCSP-UHFFFAOYSA-N
MW260.50 g/mol
LogP2.75
Rot. Bonds4

About 2-iodohexanoyl chloride

2-iodohexanoyl chloride (PubChem CID 24977367) has the molecular formula C6H10ClIO and a molecular weight of 260.50 g/mol. Its IUPAC name is 2-iodohexanoyl chloride.

Molecular Properties

Compound Name2-iodohexanoyl chloride
PubChem CID24977367
Molecular FormulaC6H10ClIO
Molecular Weight260.50 g/mol
Exact Mass259.95
IUPAC Name2-iodohexanoyl chloride
SMILESCCCCC(I)C(=O)Cl
InChIInChI=1S/C6H10ClIO/c1-2-3-4-5(8)6(7)9/h5H,2-4H2,1H3
InChIKeyLOYFAZNNQFGCSP-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.50
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of 2-iodohexanoyl chloride?
The IUPAC name of 2-iodohexanoyl chloride (CID 24977367) is 2-iodohexanoyl chloride.
What is the SMILES notation for 2-iodohexanoyl chloride?
The canonical SMILES for 2-iodohexanoyl chloride is CCCCC(I)C(=O)Cl.
What is the InChIKey of 2-iodohexanoyl chloride?
The InChIKey is LOYFAZNNQFGCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClIO/c1-2-3-4-5(8)6(7)9/h5H,2-4H2,1H3.
What are the key properties of 2-iodohexanoyl chloride?
2-iodohexanoyl chloride has a molecular weight of 260.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodohexanoyl chloride is sourced from PubChem (CID 24977367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).