2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane

C11H15F3O3S — CID 87394741

IUPAC2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane
SMILESC#CCC1CCC(CS(=O)(=O)CCC(F)(F)F)O1
InChIInChI=1S/C11H15F3O3S/c1-2-3-9-4-5-10(17-9)8-18(15,16)7-6-11(12,13)14/h1,9-10H,3-8H2
InChIKeyCPQOZSOMNXMOFV-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.92
Rot. Bonds5

About 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane

2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane (PubChem CID 87394741) has the molecular formula C11H15F3O3S and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane
PubChem CID87394741
Molecular FormulaC11H15F3O3S
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC Name2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane
SMILESC#CCC1CCC(CS(=O)(=O)CCC(F)(F)F)O1
InChIInChI=1S/C11H15F3O3S/c1-2-3-9-4-5-10(17-9)8-18(15,16)7-6-11(12,13)14/h1,9-10H,3-8H2
InChIKeyCPQOZSOMNXMOFV-UHFFFAOYSA-N
XLogP1.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane?
The IUPAC name of 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane (CID 87394741) is 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane.
What is the SMILES notation for 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane?
The canonical SMILES for 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane is C#CCC1CCC(CS(=O)(=O)CCC(F)(F)F)O1.
What is the InChIKey of 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane?
The InChIKey is CPQOZSOMNXMOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O3S/c1-2-3-9-4-5-10(17-9)8-18(15,16)7-6-11(12,13)14/h1,9-10H,3-8H2.
What are the key properties of 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane?
2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane has a molecular weight of 284.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane is sourced from PubChem (CID 87394741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).