1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate

C4H3F7O3S — CID 87921921

IUPAC1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate
SMILESCC(F)(F)C(F)(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H3F7O3S/c1-2(5,6)3(7,8)14-15(12,13)4(9,10)11/h1H3
InChIKeyVUFSCZVLBJGMHG-UHFFFAOYSA-N
MW264.12 g/mol
LogP2.10
Rot. Bonds3

About 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate

1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate (PubChem CID 87921921) has the molecular formula C4H3F7O3S and a molecular weight of 264.12 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate
PubChem CID87921921
Molecular FormulaC4H3F7O3S
Molecular Weight264.12 g/mol
Exact Mass263.97
IUPAC Name1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate
SMILESCC(F)(F)C(F)(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H3F7O3S/c1-2(5,6)3(7,8)14-15(12,13)4(9,10)11/h1H3
InChIKeyVUFSCZVLBJGMHG-UHFFFAOYSA-N
XLogP2.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate?
The IUPAC name of 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate (CID 87921921) is 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate.
What is the SMILES notation for 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate?
The canonical SMILES for 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate is CC(F)(F)C(F)(F)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate?
The InChIKey is VUFSCZVLBJGMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O3S/c1-2(5,6)3(7,8)14-15(12,13)4(9,10)11/h1H3.
What are the key properties of 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate?
1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate has a molecular weight of 264.12 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoropropyl trifluoromethanesulfonate is sourced from PubChem (CID 87921921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).