1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane

C3HF7O3S — CID 12603899

IUPAC1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane
SMILESO=S(=O)(F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O3S/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H
InChIKeyYTXQMEBSHKGBRX-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.71
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane

1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane (PubChem CID 12603899) has the molecular formula C3HF7O3S and a molecular weight of 250.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane
PubChem CID12603899
Molecular FormulaC3HF7O3S
Molecular Weight250.09 g/mol
Exact Mass249.95
IUPAC Name1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane
SMILESO=S(=O)(F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O3S/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H
InChIKeyYTXQMEBSHKGBRX-UHFFFAOYSA-N
XLogP1.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoro-2-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

1,1,1,3,3,3-Hexafluoro-2-fluorosulfinyloxypropane
CID 134934917
2,2,2-Trifluoroethyl sulfurofluoridate
CID 12397780
1,1,1-Trifluoro-2-fluorosulfonyloxypropane
CID 13555553
1,1,1-Trifluoro-2-fluorosulfinyloxypropane
CID 12583892
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite
CID 13382257
1,1,1,2-Tetrafluoro-2-fluorosulfonyloxyethane
CID 174345300
(Fluosulfonyloxy)hexafluoropropane
CID 129879034
1,1,1-Trifluoro-3-fluorosulfonyloxypropane
CID 178326877
2,2,2-Trifluoro-1-(trifluoromethyl)ethoxysulfur trifluoride
CID 12797938
Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]sulfur difluoride
CID 12797939
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfate
CID 13360358
1,1,1,3,3-Pentafluoropropan-2-yl sulfite
CID 89790467

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane (CID 12603899) is 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane is O=S(=O)(F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane?
The InChIKey is YTXQMEBSHKGBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O3S/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane?
1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane has a molecular weight of 250.09 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-fluorosulfonyloxypropane is sourced from PubChem (CID 12603899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).