1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane

C7H5F9O2S — CID 71369456

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane
SMILESCC=CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O2S/c1-2-3-19(17,18)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H,1H3
InChIKeyRGKAEHDYNMLWRB-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.36
Rot. Bonds4

About 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane

1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane (PubChem CID 71369456) has the molecular formula C7H5F9O2S and a molecular weight of 324.16 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane
PubChem CID71369456
Molecular FormulaC7H5F9O2S
Molecular Weight324.16 g/mol
Exact Mass323.99
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane
SMILESCC=CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O2S/c1-2-3-19(17,18)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H,1H3
InChIKeyRGKAEHDYNMLWRB-UHFFFAOYSA-N
XLogP3.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.36
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-nonafluoro-4-prop-1-enylsulfonylbutane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane (CID 71369456) is 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane is CC=CS(=O)(=O)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-nonafluoro-4-prop-1-enylsulfonylbutane?
The InChIKey is RGKAEHDYNMLWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O2S/c1-2-3-19(17,18)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane?
1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane has a molecular weight of 324.16 g/mol, XLogP of 3.36, 4 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-nonafluoro-4-prop-1-enylsulfonylbutane is sourced from PubChem (CID 71369456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).