3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane

C11H9F11O2 — CID 118236007

IUPAC3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane
SMILESCC1(COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)COC1
InChIInChI=1S/C11H9F11O2/c1-7(2-23-3-7)4-24-6(8(12,13)11(20,21)22)5(9(14,15)16)10(17,18)19/h2-4H2,1H3
InChIKeyXZQSHPISDDXCOX-UHFFFAOYSA-N
MW382.17 g/mol
LogP4.62
Rot. Bonds4

About 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane

3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane (PubChem CID 118236007) has the molecular formula C11H9F11O2 and a molecular weight of 382.17 g/mol. Its IUPAC name is 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane
PubChem CID118236007
Molecular FormulaC11H9F11O2
Molecular Weight382.17 g/mol
Exact Mass382.04
IUPAC Name3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane
SMILESCC1(COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)COC1
InChIInChI=1S/C11H9F11O2/c1-7(2-23-3-7)4-24-6(8(12,13)11(20,21)22)5(9(14,15)16)10(17,18)19/h2-4H2,1H3
InChIKeyXZQSHPISDDXCOX-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.17
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane?
The IUPAC name of 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane (CID 118236007) is 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane.
What is the SMILES notation for 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane?
The canonical SMILES for 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane is CC1(COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)COC1.
What is the InChIKey of 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane?
The InChIKey is XZQSHPISDDXCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F11O2/c1-7(2-23-3-7)4-24-6(8(12,13)11(20,21)22)5(9(14,15)16)10(17,18)19/h2-4H2,1H3.
What are the key properties of 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane?
3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane has a molecular weight of 382.17 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxetane is sourced from PubChem (CID 118236007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).