(2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate

C7H7F3O4S — CID 144623529

IUPAC(2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate
SMILESCC1=C(OS(=O)C(F)(F)F)C(C)OC1=O
InChIInChI=1S/C7H7F3O4S/c1-3-5(4(2)13-6(3)11)14-15(12)7(8,9)10/h4H,1-2H3
InChIKeyBWJKOGPXEKFNGL-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.41
Rot. Bonds2

About (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate

(2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate (PubChem CID 144623529) has the molecular formula C7H7F3O4S and a molecular weight of 244.19 g/mol. Its IUPAC name is (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate.

Molecular Properties

Compound Name(2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate
PubChem CID144623529
Molecular FormulaC7H7F3O4S
Molecular Weight244.19 g/mol
Exact Mass244.00
IUPAC Name(2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate
SMILESCC1=C(OS(=O)C(F)(F)F)C(C)OC1=O
InChIInChI=1S/C7H7F3O4S/c1-3-5(4(2)13-6(3)11)14-15(12)7(8,9)10/h4H,1-2H3
InChIKeyBWJKOGPXEKFNGL-UHFFFAOYSA-N
XLogP1.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate 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 (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate?
The IUPAC name of (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate (CID 144623529) is (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate.
What is the SMILES notation for (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate?
The canonical SMILES for (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate is CC1=C(OS(=O)C(F)(F)F)C(C)OC1=O.
What is the InChIKey of (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate?
The InChIKey is BWJKOGPXEKFNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O4S/c1-3-5(4(2)13-6(3)11)14-15(12)7(8,9)10/h4H,1-2H3.
What are the key properties of (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate?
(2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate has a molecular weight of 244.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-5-oxo-2H-furan-3-yl) trifluoromethanesulfinate is sourced from PubChem (CID 144623529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).