1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride

C10F14O3S — CID 101047010

IUPAC1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10F14O3S/c11-2-1(3(12)5(14)6(15)4(2)13)7(16,17)8(18,19)27-9(20,21)10(22,23)28(24,25)26
InChIKeyVQUHIFIFAZWUIB-UHFFFAOYSA-N
MW466.15 g/mol
LogP4.57
Rot. Bonds6

About 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride (PubChem CID 101047010) has the molecular formula C10F14O3S and a molecular weight of 466.15 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride
PubChem CID101047010
Molecular FormulaC10F14O3S
Molecular Weight466.15 g/mol
Exact Mass465.93
IUPAC Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10F14O3S/c11-2-1(3(12)5(14)6(15)4(2)13)7(16,17)8(18,19)27-9(20,21)10(22,23)28(24,25)26
InChIKeyVQUHIFIFAZWUIB-UHFFFAOYSA-N
XLogP4.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.15
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride (CID 101047010) is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride?
The InChIKey is VQUHIFIFAZWUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F14O3S/c11-2-1(3(12)5(14)6(15)4(2)13)7(16,17)8(18,19)27-9(20,21)10(22,23)28(24,25)26.
What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride has a molecular weight of 466.15 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride is sourced from PubChem (CID 101047010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).