1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride

C4H2F8O2S — CID 58741044

IUPAC1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F8O2S/c5-1(6)3(8,9)4(10,11)2(7)15(12,13)14/h1-2H
InChIKeyJRKUXFLMALKJHG-UHFFFAOYSA-N
MW266.11 g/mol
LogP2.12
Rot. Bonds4

About 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride

1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride (PubChem CID 58741044) has the molecular formula C4H2F8O2S and a molecular weight of 266.11 g/mol. Its IUPAC name is 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride
PubChem CID58741044
Molecular FormulaC4H2F8O2S
Molecular Weight266.11 g/mol
Exact Mass265.96
IUPAC Name1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F8O2S/c5-1(6)3(8,9)4(10,11)2(7)15(12,13)14/h1-2H
InChIKeyJRKUXFLMALKJHG-UHFFFAOYSA-N
XLogP2.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride?
The IUPAC name of 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride (CID 58741044) is 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride.
What is the SMILES notation for 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride?
The canonical SMILES for 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride is O=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride?
The InChIKey is JRKUXFLMALKJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O2S/c5-1(6)3(8,9)4(10,11)2(7)15(12,13)14/h1-2H.
What are the key properties of 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride?
1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride has a molecular weight of 266.11 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride is sourced from PubChem (CID 58741044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).