1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride

C3H2F6O2S — CID 20749593

IUPAC1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C3H2F6O2S/c4-1-2(5,6)3(7,8)12(9,10)11/h1H2
InChIKeyDUSXVHNXLUYDBK-UHFFFAOYSA-N
MW216.10 g/mol
LogP1.48
Rot. Bonds3

About 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride

1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride (PubChem CID 20749593) has the molecular formula C3H2F6O2S and a molecular weight of 216.10 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride
PubChem CID20749593
Molecular FormulaC3H2F6O2S
Molecular Weight216.10 g/mol
Exact Mass215.97
IUPAC Name1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C3H2F6O2S/c4-1-2(5,6)3(7,8)12(9,10)11/h1H2
InChIKeyDUSXVHNXLUYDBK-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 51.48
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 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride?
The IUPAC name of 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride (CID 20749593) is 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride.
What is the SMILES notation for 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride?
The canonical SMILES for 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride?
The InChIKey is DUSXVHNXLUYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O2S/c4-1-2(5,6)3(7,8)12(9,10)11/h1H2.
What are the key properties of 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride?
1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride has a molecular weight of 216.10 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoropropane-1-sulfonyl fluoride is sourced from PubChem (CID 20749593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).