2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid

C7H4F10O5S — CID 165360160

IUPAC2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESC=COC(F)(F)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)O)C(F)(F)F
InChIInChI=1S/C7H4F10O5S/c1-2-21-5(12,13)3(8,4(9,10)11)22-6(14,15)7(16,17)23(18,19)20/h2H,1H2,(H,18,19,20)
InChIKeyYNFONFXLHMOXAR-UHFFFAOYSA-N
MW390.15 g/mol
LogP3.06
Rot. Bonds7

About 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid

2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 165360160) has the molecular formula C7H4F10O5S and a molecular weight of 390.15 g/mol. Its IUPAC name is 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID165360160
Molecular FormulaC7H4F10O5S
Molecular Weight390.15 g/mol
Exact Mass389.96
IUPAC Name2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESC=COC(F)(F)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)O)C(F)(F)F
InChIInChI=1S/C7H4F10O5S/c1-2-21-5(12,13)3(8,4(9,10)11)22-6(14,15)7(16,17)23(18,19)20/h2H,1H2,(H,18,19,20)
InChIKeyYNFONFXLHMOXAR-UHFFFAOYSA-N
XLogP3.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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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-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid
CID 165365763
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-(1,1,1,2,3,3,4,5,5-nonafluoropent-4-en-2-yloxy)ethanesulfonic acid
CID 141360461
azane;1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonic acid
CID 87161896
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)ethanesulfonic acid
CID 162679396
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethanesulfonic acid
CID 22568764
1,1,2,2-tetrafluoro-2-[1,1,2,3,3,4,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)butan-2-yl]oxyethanesulfonic acid
CID 137353314
1,1,2,2-tetrafluoro-2-[1,1,2-trifluoro-1-[1,1,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid
CID 22568757
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-[3-[difluoro-(3,3,4,7,7,8,8-heptafluoro-2,2,5,5,6,6,9,9-octamethyldecan-4-yl)oxymethyl]-3,4,4,4-tetrafluoro-2-methylbutan-2-yl]oxy-1,1,2,2-tetrafluoroethanesulfonic acid
CID 88858319
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyoctane-1-sulfonic acid
CID 163324587
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 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid (CID 165360160) is 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid is C=COC(F)(F)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)O)C(F)(F)F.
What is the InChIKey of 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is YNFONFXLHMOXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F10O5S/c1-2-21-5(12,13)3(8,4(9,10)11)22-6(14,15)7(16,17)23(18,19)20/h2H,1H2,(H,18,19,20).
What are the key properties of 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid?
2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 390.15 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 165360160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).