4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane

C8H9F3O2 — CID 67892977

IUPAC4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1OC(C(F)(F)F)OC1C=C
InChIInChI=1S/C8H9F3O2/c1-3-5-6(4-2)13-7(12-5)8(9,10)11/h3-7H,1-2H2
InChIKeyXSIPEGOTTZQOSS-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.03
Rot. Bonds2

About 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane

4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 67892977) has the molecular formula C8H9F3O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID67892977
Molecular FormulaC8H9F3O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1OC(C(F)(F)F)OC1C=C
InChIInChI=1S/C8H9F3O2/c1-3-5-6(4-2)13-7(12-5)8(9,10)11/h3-7H,1-2H2
InChIKeyXSIPEGOTTZQOSS-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.03
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-Bis(Trifluoromethyl)-4,5-Divinyl-1,3-Dioxolane
CID 19099814
2,2-Bis(trifluoromethyl)-4-vinyl-1,3-dioxolane
CID 19818990
4-Ethenyl-2-fluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 22891804
4-Ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 54426350
1,3-Dioxolane, 2,2-dimethyl-4,5-divinyl-
CID 538638
2,4,5-Triethenyl-1,3-dioxolane
CID 71438911
2,4-Bis(ethenyl)-1,3-dioxolane
CID 89178978
4-Ethenyl-2-methyl-1,3-dioxolane;methane
CID 143245598
5-(2,2-Dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene
CID 23237117
4-Ethenyl-2-methyl-1,3-dioxolane
CID 19388274
4-Ethenyl-2-propyl-1,3-dioxolane
CID 19388275
4-Ethenyl-2-ethyl-1,3-dioxolane
CID 19388281

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 67892977) is 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane is C=CC1OC(C(F)(F)F)OC1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is XSIPEGOTTZQOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2/c1-3-5-6(4-2)13-7(12-5)8(9,10)11/h3-7H,1-2H2.
What are the key properties of 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane?
4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 194.15 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 67892977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).