3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide

C7H11F2IO3S — CID 165489489

IUPAC3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide
SMILESCC(F)(F)COC1CS(=O)(=O)CC1I
InChIInChI=1S/C7H11F2IO3S/c1-7(8,9)4-13-6-3-14(11,12)2-5(6)10/h5-6H,2-4H2,1H3
InChIKeyGWQDCJXUMYFVKB-UHFFFAOYSA-N
MW340.13 g/mol
LogP1.26
Rot. Bonds3

About 3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide

3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide (PubChem CID 165489489) has the molecular formula C7H11F2IO3S and a molecular weight of 340.13 g/mol. Its IUPAC name is 3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide
PubChem CID165489489
Molecular FormulaC7H11F2IO3S
Molecular Weight340.13 g/mol
Exact Mass339.94
IUPAC Name3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide
SMILESCC(F)(F)COC1CS(=O)(=O)CC1I
InChIInChI=1S/C7H11F2IO3S/c1-7(8,9)4-13-6-3-14(11,12)2-5(6)10/h5-6H,2-4H2,1H3
InChIKeyGWQDCJXUMYFVKB-UHFFFAOYSA-N
XLogP1.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide?
The IUPAC name of 3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide (CID 165489489) is 3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide.
What is the SMILES notation for 3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide?
The canonical SMILES for 3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide is CC(F)(F)COC1CS(=O)(=O)CC1I.
What is the InChIKey of 3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide?
The InChIKey is GWQDCJXUMYFVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2IO3S/c1-7(8,9)4-13-6-3-14(11,12)2-5(6)10/h5-6H,2-4H2,1H3.
What are the key properties of 3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide?
3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide has a molecular weight of 340.13 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropoxy)-4-iodothiolane 1,1-dioxide is sourced from PubChem (CID 165489489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).