1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane

C6H6F8O2S — CID 132839263

IUPAC1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane
SMILESO=S(=O)(CC(F)(F)C(F)F)CC(F)(F)C(F)F
InChIInChI=1S/C6H6F8O2S/c7-3(8)5(11,12)1-17(15,16)2-6(13,14)4(9)10/h3-4H,1-2H2
InChIKeyMFDFTUFDCQRJQW-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.20
Rot. Bonds6

About 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane

1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane (PubChem CID 132839263) has the molecular formula C6H6F8O2S and a molecular weight of 294.16 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane
PubChem CID132839263
Molecular FormulaC6H6F8O2S
Molecular Weight294.16 g/mol
Exact Mass294.00
IUPAC Name1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane
SMILESO=S(=O)(CC(F)(F)C(F)F)CC(F)(F)C(F)F
InChIInChI=1S/C6H6F8O2S/c7-3(8)5(11,12)1-17(15,16)2-6(13,14)4(9)10/h3-4H,1-2H2
InChIKeyMFDFTUFDCQRJQW-UHFFFAOYSA-N
XLogP2.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.20
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-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane (CID 132839263) is 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane is O=S(=O)(CC(F)(F)C(F)F)CC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane?
The InChIKey is MFDFTUFDCQRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O2S/c7-3(8)5(11,12)1-17(15,16)2-6(13,14)4(9)10/h3-4H,1-2H2.
What are the key properties of 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane?
1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane has a molecular weight of 294.16 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane is sourced from PubChem (CID 132839263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).