2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride

C3F6O4S — CID 11043025

IUPAC2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride
SMILESO=S(=O)(F)C1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C3F6O4S/c4-1(5)2(6,14(9,10)11)13-3(7,8)12-1
InChIKeyVUXGAQJTQYKTAB-UHFFFAOYSA-N
MW246.08 g/mol
LogP1.10
Rot. Bonds1

About 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride

2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride (PubChem CID 11043025) has the molecular formula C3F6O4S and a molecular weight of 246.08 g/mol. Its IUPAC name is 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride.

Molecular Properties

Compound Name2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride
PubChem CID11043025
Molecular FormulaC3F6O4S
Molecular Weight246.08 g/mol
Exact Mass245.94
IUPAC Name2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride
SMILESO=S(=O)(F)C1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C3F6O4S/c4-1(5)2(6,14(9,10)11)13-3(7,8)12-1
InChIKeyVUXGAQJTQYKTAB-UHFFFAOYSA-N
XLogP1.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride with MolForge

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

Launch Full Analysis

Related Compounds

2,2,4,4,5,5,7,7,8,8,10,10,11,11,13,13,14,14,16,16,17,17,19,19,20,20-hexacosafluoro-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 86282027
2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane
CID 22497786
2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane
CID 19745411
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride
CID 11333283
methane;2,2,3,3-tetrafluorooxirane
CID 174885785
1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride
CID 169224044
2,2,3-trifluoro-3-methyloxirane
CID 22289961
molecular hydrogen;sulfuryl difluoride
CID 175091653
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
1-methylcyclopropane-1-sulfonyl fluoride
CID 162341526
(3S,4R)-2,2,3,5,5-pentafluoro-4-fluorosulfonyloxyoxolane
CID 23261239
2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
CID 89164183

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride?
The IUPAC name of 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride (CID 11043025) is 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride.
What is the SMILES notation for 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride?
The canonical SMILES for 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride is O=S(=O)(F)C1(F)OC(F)(F)OC1(F)F.
What is the InChIKey of 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride?
The InChIKey is VUXGAQJTQYKTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O4S/c4-1(5)2(6,14(9,10)11)13-3(7,8)12-1.
What are the key properties of 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride?
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride has a molecular weight of 246.08 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride is sourced from PubChem (CID 11043025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).