1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane

C5H3F9O2S — CID 13358485

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane
SMILESO=S(=O)(CC(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O2S/c6-3(7,8)1-17(15,16)2(4(9,10)11)5(12,13)14/h2H,1H2
InChIKeyRFVLDIPJXHACQB-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.46
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane

1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane (PubChem CID 13358485) has the molecular formula C5H3F9O2S and a molecular weight of 298.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane
PubChem CID13358485
Molecular FormulaC5H3F9O2S
Molecular Weight298.13 g/mol
Exact Mass297.97
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane
SMILESO=S(=O)(CC(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O2S/c6-3(7,8)1-17(15,16)2(4(9,10)11)5(12,13)14/h2H,1H2
InChIKeyRFVLDIPJXHACQB-UHFFFAOYSA-N
XLogP2.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,1,3,3,3-Hexafluoropropan-2-ylsulfonyl)-2-methylpropane
CID 13623874
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane
CID 132839263
Tetrafluoro-propyl sulfone
CID 87624456
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane
CID 13358484
1,1,1-Trifluoro-2-[(2,2,2-trifluoroethyl)sulfonyl]ethane
CID 82018244
2-Ethylsulfonyl-1,1,1-trifluoroethane
CID 17887963
1,1,1,2,2,3,3-Heptafluoro-4-methylsulfonylbutane
CID 20471430
2-(1,1,1,3,3,3-Hexafluoropropan-2-ylsulfonyl)butane
CID 20811120
1-Ethylsulfonyl-1,1,2,2,2-pentafluoroethane
CID 22015919
2,2,3,3,4,4,4-Heptafluorobutane-1-sulfonate
CID 22460364
2-(Trifluoromethanesulfonyl)propane
CID 22953754
1,1,1,4,4,4-Hexafluorobutane-2-sulfonate
CID 23533131

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane (CID 13358485) is 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane is O=S(=O)(CC(F)(F)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane?
The InChIKey is RFVLDIPJXHACQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O2S/c6-3(7,8)1-17(15,16)2(4(9,10)11)5(12,13)14/h2H,1H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane?
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane has a molecular weight of 298.13 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane is sourced from PubChem (CID 13358485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).