6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane

C8H12F4O — CID 88908263

IUPAC6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane
SMILESCCC1CC(C)C(F)(F)C(F)(F)O1
InChIInChI=1S/C8H12F4O/c1-3-6-4-5(2)7(9,10)8(11,12)13-6/h5-6H,3-4H2,1-2H3
InChIKeyBBEHNAFJSGYSIX-UHFFFAOYSA-N
MW200.17 g/mol
LogP3.05
Rot. Bonds1

About 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane

6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane (PubChem CID 88908263) has the molecular formula C8H12F4O and a molecular weight of 200.17 g/mol. Its IUPAC name is 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane.

Molecular Properties

Compound Name6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane
PubChem CID88908263
Molecular FormulaC8H12F4O
Molecular Weight200.17 g/mol
Exact Mass200.08
IUPAC Name6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane
SMILESCCC1CC(C)C(F)(F)C(F)(F)O1
InChIInChI=1S/C8H12F4O/c1-3-6-4-5(2)7(9,10)8(11,12)13-6/h5-6H,3-4H2,1-2H3
InChIKeyBBEHNAFJSGYSIX-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane?
The IUPAC name of 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane (CID 88908263) is 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane.
What is the SMILES notation for 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane?
The canonical SMILES for 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane is CCC1CC(C)C(F)(F)C(F)(F)O1.
What is the InChIKey of 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane?
The InChIKey is BBEHNAFJSGYSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O/c1-3-6-4-5(2)7(9,10)8(11,12)13-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane?
6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane has a molecular weight of 200.17 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2,3,3-tetrafluoro-4-methyloxane is sourced from PubChem (CID 88908263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).