1-chloro-2-iodocyclooctane

C8H14ClI — CID 74820924

IUPAC1-chloro-2-iodocyclooctane
SMILESClC1CCCCCCC1I
InChIInChI=1S/C8H14ClI/c9-7-5-3-1-2-4-6-8(7)10/h7-8H,1-6H2
InChIKeyMIGIGFSEURYWSZ-UHFFFAOYSA-N
MW272.56 g/mol
LogP3.75
Rot. Bonds

About 1-chloro-2-iodocyclooctane

1-chloro-2-iodocyclooctane (PubChem CID 74820924) has the molecular formula C8H14ClI and a molecular weight of 272.56 g/mol. Its IUPAC name is 1-chloro-2-iodocyclooctane.

Molecular Properties

Compound Name1-chloro-2-iodocyclooctane
PubChem CID74820924
Molecular FormulaC8H14ClI
Molecular Weight272.56 g/mol
Exact Mass271.98
IUPAC Name1-chloro-2-iodocyclooctane
SMILESClC1CCCCCCC1I
InChIInChI=1S/C8H14ClI/c9-7-5-3-1-2-4-6-8(7)10/h7-8H,1-6H2
InChIKeyMIGIGFSEURYWSZ-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.56
LogP ≤ 53.75
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 1-chloro-2-iodocyclooctane?
The IUPAC name of 1-chloro-2-iodocyclooctane (CID 74820924) is 1-chloro-2-iodocyclooctane.
What is the SMILES notation for 1-chloro-2-iodocyclooctane?
The canonical SMILES for 1-chloro-2-iodocyclooctane is ClC1CCCCCCC1I.
What is the InChIKey of 1-chloro-2-iodocyclooctane?
The InChIKey is MIGIGFSEURYWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClI/c9-7-5-3-1-2-4-6-8(7)10/h7-8H,1-6H2.
What are the key properties of 1-chloro-2-iodocyclooctane?
1-chloro-2-iodocyclooctane has a molecular weight of 272.56 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-iodocyclooctane is sourced from PubChem (CID 74820924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).