2-(1,1,3-trifluoroprop-2-ynoxy)oxolane

C7H7F3O2 — CID 59741486

IUPAC2-(1,1,3-trifluoroprop-2-ynoxy)oxolane
SMILESFC#CC(F)(F)OC1CCCO1
InChIInChI=1S/C7H7F3O2/c8-4-3-7(9,10)12-6-2-1-5-11-6/h6H,1-2,5H2
InChIKeyXEPDJSJFNQJXNX-UHFFFAOYSA-N
MW180.12 g/mol
LogP1.66
Rot. Bonds2

About 2-(1,1,3-trifluoroprop-2-ynoxy)oxolane

2-(1,1,3-trifluoroprop-2-ynoxy)oxolane (PubChem CID 59741486) has the molecular formula C7H7F3O2 and a molecular weight of 180.12 g/mol. Its IUPAC name is 2-(1,1,3-trifluoroprop-2-ynoxy)oxolane.

Molecular Properties

Compound Name2-(1,1,3-trifluoroprop-2-ynoxy)oxolane
PubChem CID59741486
Molecular FormulaC7H7F3O2
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Name2-(1,1,3-trifluoroprop-2-ynoxy)oxolane
SMILESFC#CC(F)(F)OC1CCCO1
InChIInChI=1S/C7H7F3O2/c8-4-3-7(9,10)12-6-2-1-5-11-6/h6H,1-2,5H2
InChIKeyXEPDJSJFNQJXNX-UHFFFAOYSA-N
XLogP1.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,1,3-trifluoroprop-2-ynoxy)oxolane?
The IUPAC name of 2-(1,1,3-trifluoroprop-2-ynoxy)oxolane (CID 59741486) is 2-(1,1,3-trifluoroprop-2-ynoxy)oxolane.
What is the SMILES notation for 2-(1,1,3-trifluoroprop-2-ynoxy)oxolane?
The canonical SMILES for 2-(1,1,3-trifluoroprop-2-ynoxy)oxolane is FC#CC(F)(F)OC1CCCO1.
What is the InChIKey of 2-(1,1,3-trifluoroprop-2-ynoxy)oxolane?
The InChIKey is XEPDJSJFNQJXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O2/c8-4-3-7(9,10)12-6-2-1-5-11-6/h6H,1-2,5H2.
What are the key properties of 2-(1,1,3-trifluoroprop-2-ynoxy)oxolane?
2-(1,1,3-trifluoroprop-2-ynoxy)oxolane has a molecular weight of 180.12 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3-trifluoroprop-2-ynoxy)oxolane is sourced from PubChem (CID 59741486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).