1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride

C8F16O4S — CID 11038354

IUPAC1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16O4S/c9-1(10)2(11,12)3(1,13)27-6(18,19)4(14,5(15,16)17)28-7(20,21)8(22,23)29(24,25)26
InChIKeyRXKQLJUNVKZIPS-UHFFFAOYSA-N
MW496.12 g/mol
LogP4.28
Rot. Bonds7

About 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride (PubChem CID 11038354) has the molecular formula C8F16O4S and a molecular weight of 496.12 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride
PubChem CID11038354
Molecular FormulaC8F16O4S
Molecular Weight496.12 g/mol
Exact Mass495.93
IUPAC Name1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16O4S/c9-1(10)2(11,12)3(1,13)27-6(18,19)4(14,5(15,16)17)28-7(20,21)8(22,23)29(24,25)26
InChIKeyRXKQLJUNVKZIPS-UHFFFAOYSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.12
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride with MolForge

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Related Compounds

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
[2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propanoyl] 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propaneperoxoate
CID 141080446
2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 20502261
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
CID 98110115
2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 11360103
1,1,2,2-tetrafluoro-2-(1,1,2,2,3-pentafluoropropoxy)ethanesulfonyl fluoride
CID 158210089
trilithium;hydride;oxido formate;1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonate;1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride
CID 158966685
potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoate
CID 23694417
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonic acid
CID 4604312
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid
CID 165365763
[1,1,1,2,3,3-hexafluoro-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite
CID 87306894
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonamide
CID 102187425

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride (CID 11038354) is 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride?
The InChIKey is RXKQLJUNVKZIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16O4S/c9-1(10)2(11,12)3(1,13)27-6(18,19)4(14,5(15,16)17)28-7(20,21)8(22,23)29(24,25)26.
What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride has a molecular weight of 496.12 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride is sourced from PubChem (CID 11038354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).