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

C9F13NO3S — CID 101047016

IUPAC1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9F13NO3S/c10-2-1(3(11)5(13)23-4(2)12)6(14,15)7(16,17)26-8(18,19)9(20,21)27(22,24)25
InChIKeyODVUYKFBVYQTLJ-UHFFFAOYSA-N
MW449.14 g/mol
LogP3.82
Rot. Bonds6

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

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride (PubChem CID 101047016) has the molecular formula C9F13NO3S and a molecular weight of 449.14 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride
PubChem CID101047016
Molecular FormulaC9F13NO3S
Molecular Weight449.14 g/mol
Exact Mass448.94
IUPAC Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9F13NO3S/c10-2-1(3(11)5(13)23-4(2)12)6(14,15)7(16,17)26-8(18,19)9(20,21)27(22,24)25
InChIKeyODVUYKFBVYQTLJ-UHFFFAOYSA-N
XLogP3.82
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.14
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride (CID 101047016) is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride?
The InChIKey is ODVUYKFBVYQTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F13NO3S/c10-2-1(3(11)5(13)23-4(2)12)6(14,15)7(16,17)26-8(18,19)9(20,21)27(22,24)25.
What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride has a molecular weight of 449.14 g/mol, XLogP of 3.82, 6 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-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride is sourced from PubChem (CID 101047016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).