1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride

C7ClF15O4S — CID 87600015

IUPAC1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7ClF15O4S/c8-28(24,25)7(23,4(16,17)18)27-5(19,20)1(9,2(10,11)12)26-6(21,22)3(13,14)15
InChIKeyGMJMYUKQZLVPKI-UHFFFAOYSA-N
MW500.56 g/mol
LogP4.75
Rot. Bonds6

About 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride

1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride (PubChem CID 87600015) has the molecular formula C7ClF15O4S and a molecular weight of 500.56 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride
PubChem CID87600015
Molecular FormulaC7ClF15O4S
Molecular Weight500.56 g/mol
Exact Mass499.90
IUPAC Name1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7ClF15O4S/c8-28(24,25)7(23,4(16,17)18)27-5(19,20)1(9,2(10,11)12)26-6(21,22)3(13,14)15
InChIKeyGMJMYUKQZLVPKI-UHFFFAOYSA-N
XLogP4.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 54.75
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 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride?
The IUPAC name of 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride (CID 87600015) is 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride is O=S(=O)(Cl)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride?
The InChIKey is GMJMYUKQZLVPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7ClF15O4S/c8-28(24,25)7(23,4(16,17)18)27-5(19,20)1(9,2(10,11)12)26-6(21,22)3(13,14)15.
What are the key properties of 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride?
1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride has a molecular weight of 500.56 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride is sourced from PubChem (CID 87600015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).