1-chloro-8-iodotricyclo[5.2.0.02,5]nonane

C9H12ClI — CID 100950476

IUPAC1-chloro-8-iodotricyclo[5.2.0.02,5]nonane
SMILESClC12CC(I)C1CC1CCC12
InChIInChI=1S/C9H12ClI/c10-9-4-8(11)7(9)3-5-1-2-6(5)9/h5-8H,1-4H2
InChIKeyDHRFSEUSRMQRSZ-UHFFFAOYSA-N
MW282.55 g/mol
LogP3.22
Rot. Bonds

About 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane

1-chloro-8-iodotricyclo[5.2.0.02,5]nonane (PubChem CID 100950476) has the molecular formula C9H12ClI and a molecular weight of 282.55 g/mol. Its IUPAC name is 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane.

Molecular Properties

Compound Name1-chloro-8-iodotricyclo[5.2.0.02,5]nonane
PubChem CID100950476
Molecular FormulaC9H12ClI
Molecular Weight282.55 g/mol
Exact Mass281.97
IUPAC Name1-chloro-8-iodotricyclo[5.2.0.02,5]nonane
SMILESClC12CC(I)C1CC1CCC12
InChIInChI=1S/C9H12ClI/c10-9-4-8(11)7(9)3-5-1-2-6(5)9/h5-8H,1-4H2
InChIKeyDHRFSEUSRMQRSZ-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 53.22
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-8-iodotricyclo[5.2.0.02,5]nonane?
The IUPAC name of 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane (CID 100950476) is 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane.
What is the SMILES notation for 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane?
The canonical SMILES for 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane is ClC12CC(I)C1CC1CCC12.
What is the InChIKey of 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane?
The InChIKey is DHRFSEUSRMQRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClI/c10-9-4-8(11)7(9)3-5-1-2-6(5)9/h5-8H,1-4H2.
What are the key properties of 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane?
1-chloro-8-iodotricyclo[5.2.0.02,5]nonane has a molecular weight of 282.55 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-iodotricyclo[5.2.0.02,5]nonane is sourced from PubChem (CID 100950476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).