(3-ethoxyoxolan-3-yl)methanesulfonyl fluoride

C7H13FO4S — CID 165459874

IUPAC(3-ethoxyoxolan-3-yl)methanesulfonyl fluoride
SMILESCCOC1(CS(=O)(=O)F)CCOC1
InChIInChI=1S/C7H13FO4S/c1-2-12-7(3-4-11-5-7)6-13(8,9)10/h2-6H2,1H3
InChIKeyJGEZNKZDAAALKU-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.48
Rot. Bonds4

About (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride

(3-ethoxyoxolan-3-yl)methanesulfonyl fluoride (PubChem CID 165459874) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(3-ethoxyoxolan-3-yl)methanesulfonyl fluoride
PubChem CID165459874
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name(3-ethoxyoxolan-3-yl)methanesulfonyl fluoride
SMILESCCOC1(CS(=O)(=O)F)CCOC1
InChIInChI=1S/C7H13FO4S/c1-2-12-7(3-4-11-5-7)6-13(8,9)10/h2-6H2,1H3
InChIKeyJGEZNKZDAAALKU-UHFFFAOYSA-N
XLogP0.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride?
The IUPAC name of (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride (CID 165459874) is (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride is CCOC1(CS(=O)(=O)F)CCOC1.
What is the InChIKey of (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride?
The InChIKey is JGEZNKZDAAALKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-2-12-7(3-4-11-5-7)6-13(8,9)10/h2-6H2,1H3.
What are the key properties of (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride?
(3-ethoxyoxolan-3-yl)methanesulfonyl fluoride has a molecular weight of 212.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyoxolan-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 165459874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).