2,2,3,3-tetrafluoro-4-methyloxolane

C5H6F4O — CID 45090667

IUPAC2,2,3,3-tetrafluoro-4-methyloxolane
SMILESCC1COC(F)(F)C1(F)F
InChIInChI=1S/C5H6F4O/c1-3-2-10-5(8,9)4(3,6)7/h3H,2H2,1H3
InChIKeyHEOWVKOXCVCAPZ-UHFFFAOYSA-N
MW158.09 g/mol
LogP1.88
Rot. Bonds

About 2,2,3,3-tetrafluoro-4-methyloxolane

2,2,3,3-tetrafluoro-4-methyloxolane (PubChem CID 45090667) has the molecular formula C5H6F4O and a molecular weight of 158.09 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-methyloxolane.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-methyloxolane
PubChem CID45090667
Molecular FormulaC5H6F4O
Molecular Weight158.09 g/mol
Exact Mass158.04
IUPAC Name2,2,3,3-tetrafluoro-4-methyloxolane
SMILESCC1COC(F)(F)C1(F)F
InChIInChI=1S/C5H6F4O/c1-3-2-10-5(8,9)4(3,6)7/h3H,2H2,1H3
InChIKeyHEOWVKOXCVCAPZ-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 51.88
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

1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
2,2-Difluoro-3,3-bis(trifluoromethyl)oxolane
CID 12730901
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
4-Ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
CID 19063479
2-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
CID 20793147
1-Ethoxy-1,1-difluoro-2-methylbutane
CID 20802235
2-Fluoro-3-(fluoromethyl)oxolane
CID 21357108
2-(Ethoxymethyl)-1,1,1-trifluorobutane
CID 22002892
3-Trifluoromethyltetrahydrofuran
CID 54113663
2-Fluoro-4-methyloxolane
CID 57195800
1,1,1,3,3-Pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane
CID 57315484
4-Ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium
CID 58219982

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4-methyloxolane?
The IUPAC name of 2,2,3,3-tetrafluoro-4-methyloxolane (CID 45090667) is 2,2,3,3-tetrafluoro-4-methyloxolane.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-methyloxolane?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-methyloxolane is CC1COC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-methyloxolane?
The InChIKey is HEOWVKOXCVCAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O/c1-3-2-10-5(8,9)4(3,6)7/h3H,2H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-4-methyloxolane?
2,2,3,3-tetrafluoro-4-methyloxolane has a molecular weight of 158.09 g/mol, XLogP of 1.88, 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-tetrafluoro-4-methyloxolane is sourced from PubChem (CID 45090667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).