2-chloro-1,5-diiodopentan-3-one

C5H7ClI2O — CID 89314981

IUPAC2-chloro-1,5-diiodopentan-3-one
SMILESO=C(CCI)C(Cl)CI
InChIInChI=1S/C5H7ClI2O/c6-4(3-8)5(9)1-2-7/h4H,1-3H2
InChIKeyHHXPMSBCZAZVBS-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.42
Rot. Bonds4

About 2-chloro-1,5-diiodopentan-3-one

2-chloro-1,5-diiodopentan-3-one (PubChem CID 89314981) has the molecular formula C5H7ClI2O and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-chloro-1,5-diiodopentan-3-one.

Molecular Properties

Compound Name2-chloro-1,5-diiodopentan-3-one
PubChem CID89314981
Molecular FormulaC5H7ClI2O
Molecular Weight372.37 g/mol
Exact Mass371.83
IUPAC Name2-chloro-1,5-diiodopentan-3-one
SMILESO=C(CCI)C(Cl)CI
InChIInChI=1S/C5H7ClI2O/c6-4(3-8)5(9)1-2-7/h4H,1-3H2
InChIKeyHHXPMSBCZAZVBS-UHFFFAOYSA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-chloro-1,5-diiodopentan-3-one?
The IUPAC name of 2-chloro-1,5-diiodopentan-3-one (CID 89314981) is 2-chloro-1,5-diiodopentan-3-one.
What is the SMILES notation for 2-chloro-1,5-diiodopentan-3-one?
The canonical SMILES for 2-chloro-1,5-diiodopentan-3-one is O=C(CCI)C(Cl)CI.
What is the InChIKey of 2-chloro-1,5-diiodopentan-3-one?
The InChIKey is HHXPMSBCZAZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClI2O/c6-4(3-8)5(9)1-2-7/h4H,1-3H2.
What are the key properties of 2-chloro-1,5-diiodopentan-3-one?
2-chloro-1,5-diiodopentan-3-one has a molecular weight of 372.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,5-diiodopentan-3-one is sourced from PubChem (CID 89314981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).