1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride

C7F16O4S — CID 98046579

IUPAC1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O4S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25/t1-/m1/s1
InChIKeyVQUXEUQKVBTRLT-PVQJCKRUSA-N
MW484.11 g/mol
LogP4.48
Rot. Bonds7

About 1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride (PubChem CID 98046579) has the molecular formula C7F16O4S and a molecular weight of 484.11 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride
PubChem CID98046579
Molecular FormulaC7F16O4S
Molecular Weight484.11 g/mol
Exact Mass483.93
IUPAC Name1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O4S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25/t1-/m1/s1
InChIKeyVQUXEUQKVBTRLT-PVQJCKRUSA-N
XLogP4.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.11
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride (CID 98046579) is 1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride?
The InChIKey is VQUXEUQKVBTRLT-PVQJCKRUSA-N. The full InChI is InChI=1S/C7F16O4S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25/t1-/m1/s1.
What are the key properties of 1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride has a molecular weight of 484.11 g/mol, XLogP of 4.48, 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-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride is sourced from PubChem (CID 98046579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).