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

C6H6F8O2S — CID 87624456

IUPAC1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane
SMILESO=S(=O)(C(F)CC(F)(F)F)C(F)CC(F)(F)F
InChIInChI=1S/C6H6F8O2S/c7-3(1-5(9,10)11)17(15,16)4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyVIRQVRJMYUAXJF-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.90
Rot. Bonds4

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

1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane (PubChem CID 87624456) has the molecular formula C6H6F8O2S and a molecular weight of 294.16 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane
PubChem CID87624456
Molecular FormulaC6H6F8O2S
Molecular Weight294.16 g/mol
Exact Mass294.00
IUPAC Name1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane
SMILESO=S(=O)(C(F)CC(F)(F)F)C(F)CC(F)(F)F
InChIInChI=1S/C6H6F8O2S/c7-3(1-5(9,10)11)17(15,16)4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyVIRQVRJMYUAXJF-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane?
The IUPAC name of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane (CID 87624456) is 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane?
The canonical SMILES for 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane is O=S(=O)(C(F)CC(F)(F)F)C(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane?
The InChIKey is VIRQVRJMYUAXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O2S/c7-3(1-5(9,10)11)17(15,16)4(8)2-6(12,13)14/h3-4H,1-2H2.
What are the key properties of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane?
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane has a molecular weight of 294.16 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropylsulfonyl)propane is sourced from PubChem (CID 87624456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).