3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane

C9H11F7O2 — CID 22015266

IUPAC3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane
SMILESCC1(COCC(F)(F)C(F)(F)C(F)(F)F)COC1
InChIInChI=1S/C9H11F7O2/c1-6(2-17-3-6)4-18-5-7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3
InChIKeyQZYAQRJJGPOBHO-UHFFFAOYSA-N
MW284.17 g/mol
LogP2.87
Rot. Bonds5

About 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane

3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane (PubChem CID 22015266) has the molecular formula C9H11F7O2 and a molecular weight of 284.17 g/mol. Its IUPAC name is 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane
PubChem CID22015266
Molecular FormulaC9H11F7O2
Molecular Weight284.17 g/mol
Exact Mass284.06
IUPAC Name3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane
SMILESCC1(COCC(F)(F)C(F)(F)C(F)(F)F)COC1
InChIInChI=1S/C9H11F7O2/c1-6(2-17-3-6)4-18-5-7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3
InChIKeyQZYAQRJJGPOBHO-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 52.87
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 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane?
The IUPAC name of 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane (CID 22015266) is 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane.
What is the SMILES notation for 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane?
The canonical SMILES for 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane is CC1(COCC(F)(F)C(F)(F)C(F)(F)F)COC1.
What is the InChIKey of 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane?
The InChIKey is QZYAQRJJGPOBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O2/c1-6(2-17-3-6)4-18-5-7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3.
What are the key properties of 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane?
3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane has a molecular weight of 284.17 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane is sourced from PubChem (CID 22015266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).