2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate

C4H2F8O3S — CID 2776019

IUPAC2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate
SMILESO=S(=O)(OCC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2
InChIKeyQHZUUSNAUOEJBB-UHFFFAOYSA-N
MW282.11 g/mol
LogP2.05
Rot. Bonds3

About 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate

2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate (PubChem CID 2776019) has the molecular formula C4H2F8O3S and a molecular weight of 282.11 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate
PubChem CID2776019
Molecular FormulaC4H2F8O3S
Molecular Weight282.11 g/mol
Exact Mass281.96
IUPAC Name2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate
SMILESO=S(=O)(OCC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2
InChIKeyQHZUUSNAUOEJBB-UHFFFAOYSA-N
XLogP2.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 52.05
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 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate (CID 2776019) is 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate is O=S(=O)(OCC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate?
The InChIKey is QHZUUSNAUOEJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate?
2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate has a molecular weight of 282.11 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate is sourced from PubChem (CID 2776019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).