1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane

C6H2F12O8S2 — CID 142755679

IUPAC1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane
SMILESO=S(=O)(F)OC(F)(F)C(OC(F)(F)F)C(OC(F)(F)F)C(F)(F)OS(=O)(=O)F
InChIInChI=1S/C6H2F12O8S2/c7-3(8,25-27(17,19)20)1(23-5(11,12)13)2(24-6(14,15)16)4(9,10)26-28(18,21)22/h1-2H
InChIKeyQKPFNOGQVMNKON-UHFFFAOYSA-N
MW494.18 g/mol
LogP2.44
Rot. Bonds9

About 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane

1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane (PubChem CID 142755679) has the molecular formula C6H2F12O8S2 and a molecular weight of 494.18 g/mol. Its IUPAC name is 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane.

Molecular Properties

Compound Name1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane
PubChem CID142755679
Molecular FormulaC6H2F12O8S2
Molecular Weight494.18 g/mol
Exact Mass493.90
IUPAC Name1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane
SMILESO=S(=O)(F)OC(F)(F)C(OC(F)(F)F)C(OC(F)(F)F)C(F)(F)OS(=O)(=O)F
InChIInChI=1S/C6H2F12O8S2/c7-3(8,25-27(17,19)20)1(23-5(11,12)13)2(24-6(14,15)16)4(9,10)26-28(18,21)22/h1-2H
InChIKeyQKPFNOGQVMNKON-UHFFFAOYSA-N
XLogP2.44
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
2-fluoro-2-fluorosulfonyloxypropane
CID 88649659
trifluoromethyl difluoromethanesulfonate
CID 154354026
2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene
CID 10471472
phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate
CID 87619719
1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane
CID 13024147
CID 14687560
CID 14687560
lithium fluorosulfonyl hypofluorite
CID 22638452
sodium;hydride;trifluoromethyl methanesulfonate
CID 174543711
trifluoromethyl 1,1-difluoroethanesulfonate
CID 174493572
1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride
CID 15948883
1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride
CID 87438689

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane?
The IUPAC name of 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane (CID 142755679) is 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane.
What is the SMILES notation for 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane?
The canonical SMILES for 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane is O=S(=O)(F)OC(F)(F)C(OC(F)(F)F)C(OC(F)(F)F)C(F)(F)OS(=O)(=O)F.
What is the InChIKey of 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane?
The InChIKey is QKPFNOGQVMNKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O8S2/c7-3(8,25-27(17,19)20)1(23-5(11,12)13)2(24-6(14,15)16)4(9,10)26-28(18,21)22/h1-2H.
What are the key properties of 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane?
1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane has a molecular weight of 494.18 g/mol, XLogP of 2.44, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane is sourced from PubChem (CID 142755679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).