2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane

C5H4F6O2S — CID 20811114

IUPAC2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane
SMILESC=CS(=O)(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O2S/c1-2-14(12,13)3(4(6,7)8)5(9,10)11/h2-3H,1H2
InChIKeyYXBGYXZGFWODGI-UHFFFAOYSA-N
MW242.14 g/mol
LogP2.04
Rot. Bonds2

About 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane

2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane (PubChem CID 20811114) has the molecular formula C5H4F6O2S and a molecular weight of 242.14 g/mol. Its IUPAC name is 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane
PubChem CID20811114
Molecular FormulaC5H4F6O2S
Molecular Weight242.14 g/mol
Exact Mass241.98
IUPAC Name2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane
SMILESC=CS(=O)(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O2S/c1-2-14(12,13)3(4(6,7)8)5(9,10)11/h2-3H,1H2
InChIKeyYXBGYXZGFWODGI-UHFFFAOYSA-N
XLogP2.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane (CID 20811114) is 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane is C=CS(=O)(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is YXBGYXZGFWODGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2S/c1-2-14(12,13)3(4(6,7)8)5(9,10)11/h2-3H,1H2.
What are the key properties of 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane?
2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 242.14 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 20811114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).