1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane

C3H2F6O3S — CID 11817120

IUPAC1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane
SMILESO=S(=O)(F)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H2F6O3S/c4-2(5,6)1-3(7,8)12-13(9,10)11/h1H2
InChIKeyMFKKTBMBQLBFGP-UHFFFAOYSA-N
MW232.10 g/mol
LogP1.76
Rot. Bonds3

About 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane

1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane (PubChem CID 11817120) has the molecular formula C3H2F6O3S and a molecular weight of 232.10 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane
PubChem CID11817120
Molecular FormulaC3H2F6O3S
Molecular Weight232.10 g/mol
Exact Mass231.96
IUPAC Name1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane
SMILESO=S(=O)(F)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H2F6O3S/c4-2(5,6)1-3(7,8)12-13(9,10)11/h1H2
InChIKeyMFKKTBMBQLBFGP-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane 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

Hexfluoropropyl fluorosulfate
CID 13523429
2,2,2-Trifluoroethyl sulfurofluoridate
CID 12397780
Heptafluoropropyl sulfurofluoridate
CID 12589498
1,1,2-Trifluoro-1-fluorosulfonyloxyethane
CID 13115934
1,1,1,2-Tetrafluoro-2-fluorosulfonyloxyethane
CID 174345300
1,1,2,2-Tetrafluoroethyl fluorosulfate
CID 129806317
(Fluosulfonyloxy)hexafluoropropane
CID 129879034
1,1,1-Trifluoro-3-fluorosulfonyloxypropane
CID 178326877
1,1,1,3,3-Pentafluoro-3-fluorosulfonyloxy-2-iodopropane
CID 12730208
CF3CH2CF2OSO2Cl
CID 55279111
1,1,2,3,3,3-Hexafluoropropyl sulfite
CID 57037252
Fluoro 1,1,3,3,3-pentafluoropropyl sulfate
CID 87505849

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane?
The IUPAC name of 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane (CID 11817120) is 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane is O=S(=O)(F)OC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane?
The InChIKey is MFKKTBMBQLBFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O3S/c4-2(5,6)1-3(7,8)12-13(9,10)11/h1H2.
What are the key properties of 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane?
1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane has a molecular weight of 232.10 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-3-fluorosulfonyloxypropane is sourced from PubChem (CID 11817120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).