2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate

C4H3F7O3S — CID 3792475

IUPAC2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate
SMILESO=S(=O)(OCC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O3S/c5-2(6)3(7,8)1-14-15(12,13)4(9,10)11/h2H,1H2
InChIKeyOSWSZHMBICDPQH-UHFFFAOYSA-N
MW264.12 g/mol
LogP1.75
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate

2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate (PubChem CID 3792475) has the molecular formula C4H3F7O3S and a molecular weight of 264.12 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate
PubChem CID3792475
Molecular FormulaC4H3F7O3S
Molecular Weight264.12 g/mol
Exact Mass263.97
IUPAC Name2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate
SMILESO=S(=O)(OCC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O3S/c5-2(6)3(7,8)1-14-15(12,13)4(9,10)11/h2H,1H2
InChIKeyOSWSZHMBICDPQH-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 51.75
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'}

Analyze 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate (CID 3792475) is 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate is O=S(=O)(OCC(F)(F)C(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate?
The InChIKey is OSWSZHMBICDPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O3S/c5-2(6)3(7,8)1-14-15(12,13)4(9,10)11/h2H,1H2.
What are the key properties of 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate?
2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate has a molecular weight of 264.12 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate is sourced from PubChem (CID 3792475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).