1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride

C5F12O3S — CID 54316266

IUPAC1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F12O3S/c6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19
InChIKeySOJYVBKSDTVGKP-UHFFFAOYSA-N
MW368.10 g/mol
LogP3.28
Rot. Bonds4

About 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride

1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride (PubChem CID 54316266) has the molecular formula C5F12O3S and a molecular weight of 368.10 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride
PubChem CID54316266
Molecular FormulaC5F12O3S
Molecular Weight368.10 g/mol
Exact Mass367.94
IUPAC Name1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F12O3S/c6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19
InChIKeySOJYVBKSDTVGKP-UHFFFAOYSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.10
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride?
The IUPAC name of 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride (CID 54316266) is 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride is O=S(=O)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride?
The InChIKey is SOJYVBKSDTVGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12O3S/c6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19.
What are the key properties of 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride?
1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride has a molecular weight of 368.10 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 54316266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).