2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane

C6H5F5O2 — CID 21015219

IUPAC2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1(C(F)(F)F)OCC(F)(F)O1
InChIInChI=1S/C6H5F5O2/c1-2-4(6(9,10)11)12-3-5(7,8)13-4/h2H,1,3H2
InChIKeyDSLABCMZWUJRLE-UHFFFAOYSA-N
MW204.09 g/mol
LogP2.07
Rot. Bonds1

About 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane

2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 21015219) has the molecular formula C6H5F5O2 and a molecular weight of 204.09 g/mol. Its IUPAC name is 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID21015219
Molecular FormulaC6H5F5O2
Molecular Weight204.09 g/mol
Exact Mass204.02
IUPAC Name2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1(C(F)(F)F)OCC(F)(F)O1
InChIInChI=1S/C6H5F5O2/c1-2-4(6(9,10)11)12-3-5(7,8)13-4/h2H,1,3H2
InChIKeyDSLABCMZWUJRLE-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluorooxirane
CID 19829575
2,2,3,3,5,5-hexafluoro-1,4-dioxane
CID 11194916
2-(trifluoromethyl)-1,3-dioxolane-2-carbaldehyde
CID 174515012
4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolane
CID 54573537
2-ethenyl-2,3,3-trifluorooxirane
CID 55250306
1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane
CID 159201056
2-ethenyloxirane-2-carboxylic acid
CID 175491624
ethane;2-propan-2-yl-2-(trifluoromethyl)oxirane
CID 176555049
[4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate
CID 166810414
[(2S)-2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine
CID 919435
[2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine
CID 5221568
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane (CID 21015219) is 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane is C=CC1(C(F)(F)F)OCC(F)(F)O1.
What is the InChIKey of 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is DSLABCMZWUJRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O2/c1-2-4(6(9,10)11)12-3-5(7,8)13-4/h2H,1,3H2.
What are the key properties of 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane?
2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 204.09 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 21015219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).