trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate

C4F8O4S — CID 151360600

IUPACtrifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OS(=O)(=O)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F8O4S/c5-2(6,3(7,8)9)1(13)16-17(14,15)4(10,11)12
InChIKeyOOJXTGWZZXCYAS-UHFFFAOYSA-N
MW296.09 g/mol
LogP1.58
Rot. Bonds2

About trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate

trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 151360600) has the molecular formula C4F8O4S and a molecular weight of 296.09 g/mol. Its IUPAC name is trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Nametrifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID151360600
Molecular FormulaC4F8O4S
Molecular Weight296.09 g/mol
Exact Mass295.94
IUPAC Nametrifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OS(=O)(=O)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F8O4S/c5-2(6,3(7,8)9)1(13)16-17(14,15)4(10,11)12
InChIKeyOOJXTGWZZXCYAS-UHFFFAOYSA-N
XLogP1.58
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate
CID 87313156
1-fluoroethenyl trifluoromethanesulfonate
CID 87156219
1,1-difluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethanesulfonic acid
CID 59266970
3-methyl-2-(trifluoromethylsulfonyloxy)but-2-enoic acid
CID 58900347
trifluorosilyl 2,2,3,3,3-pentafluoropropanoate
CID 23235509
but-2-en-2-yl trifluoromethanesulfonate
CID 58952347
Pentafluoropropanoic acid sodium
CID 71650614
trifluoromethylsulfonyl benzoate
CID 11064956
[4-[4-(2,2,3,3,3-pentafluoropropanoyloxy)phenyl]sulfonylphenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91741062
N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate
CID 89407045
sodium;hydride;methylsulfonyl 2,2,2-trifluoroacetate
CID 175105872
2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730729

Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate (CID 151360600) is trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate is O=C(OS(=O)(=O)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is OOJXTGWZZXCYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8O4S/c5-2(6,3(7,8)9)1(13)16-17(14,15)4(10,11)12.
What are the key properties of trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate?
trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 296.09 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 151360600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).