(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate

C4F6O6S — CID 87313156

IUPAC(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate
SMILESO=C(OS(=O)(=O)OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F6O6S/c5-3(6,7)1(11)15-17(13,14)16-2(12)4(8,9)10
InChIKeyINRLXFOTPYVQFP-UHFFFAOYSA-N
MW290.09 g/mol
LogP0.44
Rot. Bonds2

About (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate

(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate (PubChem CID 87313156) has the molecular formula C4F6O6S and a molecular weight of 290.09 g/mol. Its IUPAC name is (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate
PubChem CID87313156
Molecular FormulaC4F6O6S
Molecular Weight290.09 g/mol
Exact Mass289.93
IUPAC Name(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate
SMILESO=C(OS(=O)(=O)OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F6O6S/c5-3(6,7)1(11)15-17(13,14)16-2(12)4(8,9)10
InChIKeyINRLXFOTPYVQFP-UHFFFAOYSA-N
XLogP0.44
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

sodium;hydride;methylsulfonyl 2,2,2-trifluoroacetate
CID 175105872
trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate
CID 151360600
disodium;bis(isocyanatosulfonyl 2,2,2-trifluoroacetate);oxalate
CID 175301888
lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide
CID 173195511
phosphanyl 2,2,2-trifluoroacetate
CID 88670110
bis[(2,2,2-trifluoroacetyl)oxy]stibanyl 2,2,2-trifluoroacetate
CID 16685221
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
(2,2,2-trifluoroacetyl) 2-hydroxypropanoate
CID 174789042
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 23148895
oxothallanyl 2,2,2-trifluoroacetate
CID 141105669
triethylsilyl 2,2,2-trifluoroacetate
CID 11831178

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate?
The IUPAC name of (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate (CID 87313156) is (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate.
What is the SMILES notation for (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate?
The canonical SMILES for (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate is O=C(OS(=O)(=O)OC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate?
The InChIKey is INRLXFOTPYVQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O6S/c5-3(6,7)1(11)15-17(13,14)16-2(12)4(8,9)10.
What are the key properties of (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate?
(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate has a molecular weight of 290.09 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 87313156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).