5-chloro-1-iodopentan-2-one

C5H8ClIO — CID 170561726

IUPAC5-chloro-1-iodopentan-2-one
SMILESO=C(CI)CCCCl
InChIInChI=1S/C5H8ClIO/c6-3-1-2-5(8)4-7/h1-4H2
InChIKeyRCPJYWYHSDAXGQ-UHFFFAOYSA-N
MW246.47 g/mol
LogP2.01
Rot. Bonds4

About 5-chloro-1-iodopentan-2-one

5-chloro-1-iodopentan-2-one (PubChem CID 170561726) has the molecular formula C5H8ClIO and a molecular weight of 246.47 g/mol. Its IUPAC name is 5-chloro-1-iodopentan-2-one.

Molecular Properties

Compound Name5-chloro-1-iodopentan-2-one
PubChem CID170561726
Molecular FormulaC5H8ClIO
Molecular Weight246.47 g/mol
Exact Mass245.93
IUPAC Name5-chloro-1-iodopentan-2-one
SMILESO=C(CI)CCCCl
InChIInChI=1S/C5H8ClIO/c6-3-1-2-5(8)4-7/h1-4H2
InChIKeyRCPJYWYHSDAXGQ-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 52.01
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 5-chloro-1-iodopentan-2-one?
The IUPAC name of 5-chloro-1-iodopentan-2-one (CID 170561726) is 5-chloro-1-iodopentan-2-one.
What is the SMILES notation for 5-chloro-1-iodopentan-2-one?
The canonical SMILES for 5-chloro-1-iodopentan-2-one is O=C(CI)CCCCl.
What is the InChIKey of 5-chloro-1-iodopentan-2-one?
The InChIKey is RCPJYWYHSDAXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClIO/c6-3-1-2-5(8)4-7/h1-4H2.
What are the key properties of 5-chloro-1-iodopentan-2-one?
5-chloro-1-iodopentan-2-one has a molecular weight of 246.47 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-iodopentan-2-one is sourced from PubChem (CID 170561726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).