1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride

C4F10O3S — CID 165365650

IUPAC1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C4F10O3S/c5-1(6,3(9,10)18(14,15)16)2(7,8)17-4(11,12)13
InChIKeyDXHBQVHJLUSTNX-UHFFFAOYSA-N
MW318.09 g/mol
LogP2.64
Rot. Bonds4

About 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride

1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride (PubChem CID 165365650) has the molecular formula C4F10O3S and a molecular weight of 318.09 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
PubChem CID165365650
Molecular FormulaC4F10O3S
Molecular Weight318.09 g/mol
Exact Mass317.94
IUPAC Name1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C4F10O3S/c5-1(6,3(9,10)18(14,15)16)2(7,8)17-4(11,12)13
InChIKeyDXHBQVHJLUSTNX-UHFFFAOYSA-N
XLogP2.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonic acid
CID 139597355
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-11-(trifluoromethoxy)undecane-1-sulfonic acid
CID 165364498
1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate
CID 20758408
lithium;hydride;bis(1,1,2,2-tetrafluoroethane-1,2-disulfonyl fluoride)
CID 173049005
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxyethanesulfonyl fluoride
CID 14687568
azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride
CID 175311052
2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 11360103
cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
CID 23676032
potassium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
CID 23676030
1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane-1-sulfonyl fluoride
CID 175997144
1,1,2,2-tetrafluoro-2-(1,1,2,2,3-pentafluoropropoxy)ethanesulfonyl fluoride
CID 158210089
2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride
CID 134926549

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride (CID 165365650) is 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride?
The InChIKey is DXHBQVHJLUSTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O3S/c5-1(6,3(9,10)18(14,15)16)2(7,8)17-4(11,12)13.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride?
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride has a molecular weight of 318.09 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride is sourced from PubChem (CID 165365650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).