2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride

C7H10ClF3O3S — CID 114827472

IUPAC2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride
SMILESCC1CCC(C(C(F)(F)F)S(=O)(=O)Cl)O1
InChIInChI=1S/C7H10ClF3O3S/c1-4-2-3-5(14-4)6(7(9,10)11)15(8,12)13/h4-6H,2-3H2,1H3
InChIKeyOSHZLAGGEHBVTL-UHFFFAOYSA-N
MW266.67 g/mol
LogP2.05
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride

2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride (PubChem CID 114827472) has the molecular formula C7H10ClF3O3S and a molecular weight of 266.67 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride
PubChem CID114827472
Molecular FormulaC7H10ClF3O3S
Molecular Weight266.67 g/mol
Exact Mass266.00
IUPAC Name2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride
SMILESCC1CCC(C(C(F)(F)F)S(=O)(=O)Cl)O1
InChIInChI=1S/C7H10ClF3O3S/c1-4-2-3-5(14-4)6(7(9,10)11)15(8,12)13/h4-6H,2-3H2,1H3
InChIKeyOSHZLAGGEHBVTL-UHFFFAOYSA-N
XLogP2.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride 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 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride (CID 114827472) is 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride is CC1CCC(C(C(F)(F)F)S(=O)(=O)Cl)O1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride?
The InChIKey is OSHZLAGGEHBVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3O3S/c1-4-2-3-5(14-4)6(7(9,10)11)15(8,12)13/h4-6H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride?
2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride has a molecular weight of 266.67 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methyloxolan-2-yl)ethanesulfonyl chloride is sourced from PubChem (CID 114827472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).