2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane

C10H12F4O2 — CID 15274981

IUPAC2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane
SMILESCCOC1=C(C2CCCO2)C(F)(F)C1(F)F
InChIInChI=1S/C10H12F4O2/c1-2-15-8-7(6-4-3-5-16-6)9(11,12)10(8,13)14/h6H,2-5H2,1H3
InChIKeyBIOATXHJUQTJOE-UHFFFAOYSA-N
MW240.20 g/mol
LogP2.74
Rot. Bonds3

About 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane

2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane (PubChem CID 15274981) has the molecular formula C10H12F4O2 and a molecular weight of 240.20 g/mol. Its IUPAC name is 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane.

Molecular Properties

Compound Name2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane
PubChem CID15274981
Molecular FormulaC10H12F4O2
Molecular Weight240.20 g/mol
Exact Mass240.08
IUPAC Name2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane
SMILESCCOC1=C(C2CCCO2)C(F)(F)C1(F)F
InChIInChI=1S/C10H12F4O2/c1-2-15-8-7(6-4-3-5-16-6)9(11,12)10(8,13)14/h6H,2-5H2,1H3
InChIKeyBIOATXHJUQTJOE-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane?
The IUPAC name of 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane (CID 15274981) is 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane.
What is the SMILES notation for 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane?
The canonical SMILES for 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane is CCOC1=C(C2CCCO2)C(F)(F)C1(F)F.
What is the InChIKey of 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane?
The InChIKey is BIOATXHJUQTJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O2/c1-2-15-8-7(6-4-3-5-16-6)9(11,12)10(8,13)14/h6H,2-5H2,1H3.
What are the key properties of 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane?
2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane has a molecular weight of 240.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3,3,4,4-tetrafluorocyclobuten-1-yl)oxolane is sourced from PubChem (CID 15274981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).