3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane

C9H11F7O2 — CID 87779205

IUPAC3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane
SMILESCC1OCC1(C)OC(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C9H11F7O2/c1-4-7(2,3-17-4)18-9(15,16)8(13,14)5(10)6(11)12/h4-6H,3H2,1-2H3
InChIKeyMLCIGHDKULOJJV-UHFFFAOYSA-N
MW284.17 g/mol
LogP3.01
Rot. Bonds5

About 3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane

3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane (PubChem CID 87779205) has the molecular formula C9H11F7O2 and a molecular weight of 284.17 g/mol. Its IUPAC name is 3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane.

Molecular Properties

Compound Name3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane
PubChem CID87779205
Molecular FormulaC9H11F7O2
Molecular Weight284.17 g/mol
Exact Mass284.06
IUPAC Name3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane
SMILESCC1OCC1(C)OC(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C9H11F7O2/c1-4-7(2,3-17-4)18-9(15,16)8(13,14)5(10)6(11)12/h4-6H,3H2,1-2H3
InChIKeyMLCIGHDKULOJJV-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane?
The IUPAC name of 3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane (CID 87779205) is 3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane.
What is the SMILES notation for 3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane?
The canonical SMILES for 3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane is CC1OCC1(C)OC(F)(F)C(F)(F)C(F)C(F)F.
What is the InChIKey of 3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane?
The InChIKey is MLCIGHDKULOJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O2/c1-4-7(2,3-17-4)18-9(15,16)8(13,14)5(10)6(11)12/h4-6H,3H2,1-2H3.
What are the key properties of 3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane?
3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane has a molecular weight of 284.17 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,4,4-heptafluorobutoxy)-2,3-dimethyloxetane is sourced from PubChem (CID 87779205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).