2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride

C4Cl2F8O5S2 — CID 13141607

IUPAC2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C4Cl2F8O5S2/c5-20(15,16)3(11,12)1(7,8)19-2(9,10)4(13,14)21(6,17)18
InChIKeyMURKVRQZRUQKLJ-UHFFFAOYSA-N
MW415.06 g/mol
LogP2.51
Rot. Bonds6

About 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride

2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride (PubChem CID 13141607) has the molecular formula C4Cl2F8O5S2 and a molecular weight of 415.06 g/mol. Its IUPAC name is 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride
PubChem CID13141607
Molecular FormulaC4Cl2F8O5S2
Molecular Weight415.06 g/mol
Exact Mass413.84
IUPAC Name2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C4Cl2F8O5S2/c5-20(15,16)3(11,12)1(7,8)19-2(9,10)4(13,14)21(6,17)18
InChIKeyMURKVRQZRUQKLJ-UHFFFAOYSA-N
XLogP2.51
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.06
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride?
The IUPAC name of 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride (CID 13141607) is 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride.
What is the SMILES notation for 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride?
The canonical SMILES for 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)Cl.
What is the InChIKey of 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride?
The InChIKey is MURKVRQZRUQKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F8O5S2/c5-20(15,16)3(11,12)1(7,8)19-2(9,10)4(13,14)21(6,17)18.
What are the key properties of 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride?
2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride has a molecular weight of 415.06 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorosulfonyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl chloride is sourced from PubChem (CID 13141607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).