2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate

C7H10F6O6S2 — CID 87128140

IUPAC2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate
SMILESCC(COS(=O)(=O)C(F)(F)CF)OS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C7H10F6O6S2/c1-5(19-21(16,17)7(12,13)4-9)2-18-20(14,15)6(10,11)3-8/h5H,2-4H2,1H3
InChIKeyLWYNEDPDUZNQMY-UHFFFAOYSA-N
MW368.27 g/mol
LogP1.19
Rot. Bonds9

About 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate

2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate (PubChem CID 87128140) has the molecular formula C7H10F6O6S2 and a molecular weight of 368.27 g/mol. Its IUPAC name is 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate.

Molecular Properties

Compound Name2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate
PubChem CID87128140
Molecular FormulaC7H10F6O6S2
Molecular Weight368.27 g/mol
Exact Mass367.98
IUPAC Name2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate
SMILESCC(COS(=O)(=O)C(F)(F)CF)OS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C7H10F6O6S2/c1-5(19-21(16,17)7(12,13)4-9)2-18-20(14,15)6(10,11)3-8/h5H,2-4H2,1H3
InChIKeyLWYNEDPDUZNQMY-UHFFFAOYSA-N
XLogP1.19
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate?
The IUPAC name of 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate (CID 87128140) is 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate.
What is the SMILES notation for 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate?
The canonical SMILES for 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate is CC(COS(=O)(=O)C(F)(F)CF)OS(=O)(=O)C(F)(F)CF.
What is the InChIKey of 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate?
The InChIKey is LWYNEDPDUZNQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O6S2/c1-5(19-21(16,17)7(12,13)4-9)2-18-20(14,15)6(10,11)3-8/h5H,2-4H2,1H3.
What are the key properties of 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate?
2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate has a molecular weight of 368.27 g/mol, XLogP of 1.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trifluoroethylsulfonyloxy)propyl 1,1,2-trifluoroethanesulfonate is sourced from PubChem (CID 87128140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).