1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane

C8H7F11O2S — CID 139597956

IUPAC1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane
SMILESCCCS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F11O2S/c1-2-3-22(20,21)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2-3H2,1H3
InChIKeyXZXOYKSOUAKSCR-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.87
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane

1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane (PubChem CID 139597956) has the molecular formula C8H7F11O2S and a molecular weight of 376.19 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane
PubChem CID139597956
Molecular FormulaC8H7F11O2S
Molecular Weight376.19 g/mol
Exact Mass376.00
IUPAC Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane
SMILESCCCS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F11O2S/c1-2-3-22(20,21)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2-3H2,1H3
InChIKeyXZXOYKSOUAKSCR-UHFFFAOYSA-N
XLogP3.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.87
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 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane (CID 139597956) is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane is CCCS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane?
The InChIKey is XZXOYKSOUAKSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F11O2S/c1-2-3-22(20,21)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2-3H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane?
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane has a molecular weight of 376.19 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane is sourced from PubChem (CID 139597956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).