3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane

C11H12F10O3 — CID 22247105

IUPAC3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane
SMILESFC(F)(F)COCC1(COCC(F)(F)C(F)(F)C(F)(F)F)COC1
InChIInChI=1S/C11H12F10O3/c12-8(13,10(17,18)11(19,20)21)5-23-3-7(1-22-2-7)4-24-6-9(14,15)16/h1-6H2
InChIKeyMVXDQPWDKQXWJF-UHFFFAOYSA-N
MW382.19 g/mol
LogP3.43
Rot. Bonds8

About 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane

3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane (PubChem CID 22247105) has the molecular formula C11H12F10O3 and a molecular weight of 382.19 g/mol. Its IUPAC name is 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane.

Molecular Properties

Compound Name3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane
PubChem CID22247105
Molecular FormulaC11H12F10O3
Molecular Weight382.19 g/mol
Exact Mass382.06
IUPAC Name3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane
SMILESFC(F)(F)COCC1(COCC(F)(F)C(F)(F)C(F)(F)F)COC1
InChIInChI=1S/C11H12F10O3/c12-8(13,10(17,18)11(19,20)21)5-23-3-7(1-22-2-7)4-24-6-9(14,15)16/h1-6H2
InChIKeyMVXDQPWDKQXWJF-UHFFFAOYSA-N
XLogP3.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethoxymethyl)oxetane?
The IUPAC name of 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane (CID 22247105) is 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane.
What is the SMILES notation for 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane?
The canonical SMILES for 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane is FC(F)(F)COCC1(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-(2,2,2-trifluoroethoxymethyl)oxetane?
The InChIKey is MVXDQPWDKQXWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F10O3/c12-8(13,10(17,18)11(19,20)21)5-23-3-7(1-22-2-7)4-24-6-9(14,15)16/h1-6H2.
What are the key properties of 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane?
3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane has a molecular weight of 382.19 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-(2,2,2-trifluoroethoxymethyl)oxetane is sourced from PubChem (CID 22247105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).