3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane

C10H12F6O — CID 23405517

IUPAC3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane
SMILESC=CC1CC(C)(C)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c1-4-6-5-7(2,3)17-8(6,9(11,12)13)10(14,15)16/h4,6H,1,5H2,2-3H3
InChIKeyCTWGOQABZKGVST-UHFFFAOYSA-N
MW262.19 g/mol
LogP3.85
Rot. Bonds1

About 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane

3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane (PubChem CID 23405517) has the molecular formula C10H12F6O and a molecular weight of 262.19 g/mol. Its IUPAC name is 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane
PubChem CID23405517
Molecular FormulaC10H12F6O
Molecular Weight262.19 g/mol
Exact Mass262.08
IUPAC Name3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane
SMILESC=CC1CC(C)(C)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c1-4-6-5-7(2,3)17-8(6,9(11,12)13)10(14,15)16/h4,6H,1,5H2,2-3H3
InChIKeyCTWGOQABZKGVST-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]hepta-1,6-diene
CID 57723664
1,1,2-Trifluoro-4-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]hepta-1,6-diene
CID 89334163
4-(2-Ethoxy-3,3,3-trifluoro-2-methylpropyl)-1,1,2-trifluorohepta-1,6-diene
CID 89334167
3-Ethenyl-4,4-dimethyl-2,2-bis(trifluoromethyl)oxolane
CID 145856348
3-Ethenyl-2,2,5,5-tetramethyloxolane
CID 14593314
5,5-Difluoro-2,2-dimethyl-3-vinyltetrahydrofuran
CID 45090768

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane?
The IUPAC name of 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane (CID 23405517) is 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane.
What is the SMILES notation for 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane?
The canonical SMILES for 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane is C=CC1CC(C)(C)OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane?
The InChIKey is CTWGOQABZKGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O/c1-4-6-5-7(2,3)17-8(6,9(11,12)13)10(14,15)16/h4,6H,1,5H2,2-3H3.
What are the key properties of 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane?
3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane has a molecular weight of 262.19 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5,5-dimethyl-2,2-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 23405517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).