3-chloro-3-iodopentane

C5H10ClI — CID 151673398

IUPAC3-chloro-3-iodopentane
SMILESCCC(Cl)(I)CC
InChIInChI=1S/C5H10ClI/c1-3-5(6,7)4-2/h3-4H2,1-2H3
InChIKeyQZAKZTPAXYOXAC-UHFFFAOYSA-N
MW232.49 g/mol
LogP3.18
Rot. Bonds2

About 3-chloro-3-iodopentane

3-chloro-3-iodopentane (PubChem CID 151673398) has the molecular formula C5H10ClI and a molecular weight of 232.49 g/mol. Its IUPAC name is 3-chloro-3-iodopentane.

Molecular Properties

Compound Name3-chloro-3-iodopentane
PubChem CID151673398
Molecular FormulaC5H10ClI
Molecular Weight232.49 g/mol
Exact Mass231.95
IUPAC Name3-chloro-3-iodopentane
SMILESCCC(Cl)(I)CC
InChIInChI=1S/C5H10ClI/c1-3-5(6,7)4-2/h3-4H2,1-2H3
InChIKeyQZAKZTPAXYOXAC-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-chloro-3-iodopentane?
The IUPAC name of 3-chloro-3-iodopentane (CID 151673398) is 3-chloro-3-iodopentane.
What is the SMILES notation for 3-chloro-3-iodopentane?
The canonical SMILES for 3-chloro-3-iodopentane is CCC(Cl)(I)CC.
What is the InChIKey of 3-chloro-3-iodopentane?
The InChIKey is QZAKZTPAXYOXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClI/c1-3-5(6,7)4-2/h3-4H2,1-2H3.
What are the key properties of 3-chloro-3-iodopentane?
3-chloro-3-iodopentane has a molecular weight of 232.49 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-iodopentane is sourced from PubChem (CID 151673398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).