3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane

C9H10F8O2 — CID 12010403

IUPAC3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane
SMILESCC1(COC(F)(F)C(F)C(F)(F)C(F)(F)F)COC1
InChIInChI=1S/C9H10F8O2/c1-6(2-18-3-6)4-19-8(13,14)5(10)7(11,12)9(15,16)17/h5H,2-4H2,1H3
InChIKeyZJYXFFHYHRZJCY-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.17
Rot. Bonds5

About 3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane

3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane (PubChem CID 12010403) has the molecular formula C9H10F8O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane
PubChem CID12010403
Molecular FormulaC9H10F8O2
Molecular Weight302.16 g/mol
Exact Mass302.06
IUPAC Name3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane
SMILESCC1(COC(F)(F)C(F)C(F)(F)C(F)(F)F)COC1
InChIInChI=1S/C9H10F8O2/c1-6(2-18-3-6)4-19-8(13,14)5(10)7(11,12)9(15,16)17/h5H,2-4H2,1H3
InChIKeyZJYXFFHYHRZJCY-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.17
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-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane?
The IUPAC name of 3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane (CID 12010403) is 3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane?
The canonical SMILES for 3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane is CC1(COC(F)(F)C(F)C(F)(F)C(F)(F)F)COC1.
What is the InChIKey of 3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane?
The InChIKey is ZJYXFFHYHRZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O2/c1-6(2-18-3-6)4-19-8(13,14)5(10)7(11,12)9(15,16)17/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane?
3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane has a molecular weight of 302.16 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane is sourced from PubChem (CID 12010403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).