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

C10H7F15O6S — CID 22568757

IUPAC1,1,2,2-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
SMILESCC(F)(OC(F)(F)C(F)(F)S(=O)(=O)O)C(F)(F)OC(C)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F15O6S/c1-3(11,30-9(22,23)10(24,25)32(26,27)28)6(16,17)29-4(2,12)7(18,19)31-8(20,21)5(13,14)15/h1-2H3,(H,26,27,28)
InChIKeyUFJJWSRMVSWNTH-UHFFFAOYSA-N
MW540.20 g/mol
LogP4.82
Rot. Bonds10

About 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

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 (PubChem CID 22568757) has the molecular formula C10H7F15O6S and a molecular weight of 540.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,2,2-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
PubChem CID22568757
Molecular FormulaC10H7F15O6S
Molecular Weight540.20 g/mol
Exact Mass539.97
IUPAC Name1,1,2,2-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
SMILESCC(F)(OC(F)(F)C(F)(F)S(=O)(=O)O)C(F)(F)OC(C)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F15O6S/c1-3(11,30-9(22,23)10(24,25)32(26,27)28)6(16,17)29-4(2,12)7(18,19)31-8(20,21)5(13,14)15/h1-2H3,(H,26,27,28)
InChIKeyUFJJWSRMVSWNTH-UHFFFAOYSA-N
XLogP4.82
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 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 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-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
1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butane-1-sulfonic acid
CID 101454725
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
methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 135210232
2-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
CID 13231611
1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]ethanesulfonic acid
CID 22568765
2-(1,1,2,2,3,3,4,4,5,5-decafluoropentoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
CID 139595509
1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonic acid
CID 14028422
1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3,4,5,5-nonafluoropent-4-en-2-yloxy)ethanesulfonic acid
CID 141360461
2-(1-ethenoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2-tetrafluoroethanesulfonic acid
CID 165360160

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)(OC(F)(F)C(F)(F)S(=O)(=O)O)C(F)(F)OC(C)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is UFJJWSRMVSWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F15O6S/c1-3(11,30-9(22,23)10(24,25)32(26,27)28)6(16,17)29-4(2,12)7(18,19)31-8(20,21)5(13,14)15/h1-2H3,(H,26,27,28).
What are the key properties of 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?
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 has a molecular weight of 540.20 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22568757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).