(2S)-1,2-diiodocyclobutane

C4H6I2 — CID 88998868

IUPAC(2S)-1,2-diiodocyclobutane
SMILESIC1CC[C@@H]1I
InChIInChI=1S/C4H6I2/c5-3-1-2-4(3)6/h3-4H,1-2H2/t3-,4?/m0/s1
InChIKeyYCRHYFBSNZTSAJ-WUCPZUCCSA-N
MW307.90 g/mol
LogP2.39
Rot. Bonds

About (2S)-1,2-diiodocyclobutane

(2S)-1,2-diiodocyclobutane (PubChem CID 88998868) has the molecular formula C4H6I2 and a molecular weight of 307.90 g/mol. Its IUPAC name is (2S)-1,2-diiodocyclobutane.

Molecular Properties

Compound Name(2S)-1,2-diiodocyclobutane
PubChem CID88998868
Molecular FormulaC4H6I2
Molecular Weight307.90 g/mol
Exact Mass307.86
IUPAC Name(2S)-1,2-diiodocyclobutane
SMILESIC1CC[C@@H]1I
InChIInChI=1S/C4H6I2/c5-3-1-2-4(3)6/h3-4H,1-2H2/t3-,4?/m0/s1
InChIKeyYCRHYFBSNZTSAJ-WUCPZUCCSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.90
LogP ≤ 52.39
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 (2S)-1,2-diiodocyclobutane?
The IUPAC name of (2S)-1,2-diiodocyclobutane (CID 88998868) is (2S)-1,2-diiodocyclobutane.
What is the SMILES notation for (2S)-1,2-diiodocyclobutane?
The canonical SMILES for (2S)-1,2-diiodocyclobutane is IC1CC[C@@H]1I.
What is the InChIKey of (2S)-1,2-diiodocyclobutane?
The InChIKey is YCRHYFBSNZTSAJ-WUCPZUCCSA-N. The full InChI is InChI=1S/C4H6I2/c5-3-1-2-4(3)6/h3-4H,1-2H2/t3-,4?/m0/s1.
What are the key properties of (2S)-1,2-diiodocyclobutane?
(2S)-1,2-diiodocyclobutane has a molecular weight of 307.90 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-diiodocyclobutane is sourced from PubChem (CID 88998868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).