2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane

C7H8F6O — CID 129292187

IUPAC2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane
SMILESCC1(F)CC(C)(F)C(F)(F)C(F)(F)O1
InChIInChI=1S/C7H8F6O/c1-4(8)3-5(2,9)14-7(12,13)6(4,10)11/h3H2,1-2H3
InChIKeyRYAFORRYHUZYOQ-UHFFFAOYSA-N
MW222.13 g/mol
LogP3.05
Rot. Bonds

About 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane

2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane (PubChem CID 129292187) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane.

Molecular Properties

Compound Name2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane
PubChem CID129292187
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane
SMILESCC1(F)CC(C)(F)C(F)(F)C(F)(F)O1
InChIInChI=1S/C7H8F6O/c1-4(8)3-5(2,9)14-7(12,13)6(4,10)11/h3H2,1-2H3
InChIKeyRYAFORRYHUZYOQ-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-Trifluoro-methyl-4-methyltetrahydropyran
CID 129270069
2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
CID 20591286
3-(1,1-Difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
CID 20700672
5-Ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane
CID 20725476
2,3-Diethyl-2,3,4,4,5,5-hexafluorooxolane
CID 20802273
2,2,3,3,4,4,5,6-Octafluoro-5-methyl-6-(trifluoromethyl)oxane
CID 53851250
2-(1,1-Difluoroethyl)-2,3,3,4,5,5,6,6-octafluoro-4-methyloxane
CID 57562038
2,2,3,3,4,6-Hexafluoro-6-(fluoromethyl)-5-(trifluoromethyl)oxane
CID 57667496
2-Ethyl-2,3,3,5,5,6,6-heptafluoro-4-methyloxane
CID 57693925
3-(1,1-Difluoroethyl)-3-fluorooxane
CID 58078346
6-(1,1-Difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluoro-2-(trifluoromethyl)oxane
CID 58249148
2-(1,1-Difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
CID 58249149

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane?
The IUPAC name of 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane (CID 129292187) is 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane.
What is the SMILES notation for 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane?
The canonical SMILES for 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane is CC1(F)CC(C)(F)C(F)(F)C(F)(F)O1.
What is the InChIKey of 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane?
The InChIKey is RYAFORRYHUZYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O/c1-4(8)3-5(2,9)14-7(12,13)6(4,10)11/h3H2,1-2H3.
What are the key properties of 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane?
2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane has a molecular weight of 222.13 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,6-hexafluoro-4,6-dimethyloxane is sourced from PubChem (CID 129292187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).