2,2,x-Tris(trifluoromethyl)trifluorooxetane|2,2,3-trifluoro-3,4,4-tris(trifluoromethyl)oxetane|2,2,3-trifluoro-3,4,4-tris(trifluoromethyl)oxetane

General Information

Structure

Molecular Formula

C₆F₁₂O

Molecular Mass

316.0444384

Exact Mass

315.97575326

Charge

InChI

InChI=1S/C6F12O/c7-1(3(8,9)10)2(4(11,12)13,5(14,15)16)19-6(1,17)18

InChIKey

DKJVCYZVJXDTKE-UHFFFAOYSA-N

Canonic Smiles

FC(C1(F)C(F)(F)OC1(C(F)(F)F)C(F)(F)F)(F)F

Isomeric Smiles

FC1(OC(C1(C(F)(F)F)F)(C(F)(F)F)C(F)(F)F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.8345132

LogD (pH = 7.4)

3.8345132

Log P

3.8345132

Molar Refractivity

31.6787

Polarizability

12.343513

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2,2,x-Tris(trifluoromethyl)trifluorooxetane

IUPAC Traditional name

2,2,3-trifluoro-3,4,4-tris(trifluoromethyl)oxetane

IUPAC name

2,2,3-trifluoro-3,4,4-tris(trifluoromethyl)oxetane

Names and Identifiers

Registration numbers

PubChem CID

2782439

PubChem SID

162104950

Registration numbers

Properties

Safety Information

Storage Warning

Irritant

Physical Property

Flash Point

none°C

Boiling Point

51°C

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC4471

Aproximately 50:50 mixture of isomers where x = 3 & 4. Approximately 50:50 mixture of isomers, x=3,4

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC Traditional name

• IUPAC name

Registration numbers

• PubChem CID

• PubChem SID

Properties

• Safety Information

• Physical Property

• Apollo Scientific

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:97403