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

C7H3F9O2 — CID 19818997

IUPAC4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C7H3F9O2/c1-2-3(8)7(15,16)18-4(17-3,5(9,10)11)6(12,13)14/h2H,1H2
InChIKeyAVKGFBOTRINFBB-UHFFFAOYSA-N
MW290.08 g/mol
LogP3.30
Rot. Bonds1

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

4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 19818997) has the molecular formula C7H3F9O2 and a molecular weight of 290.08 g/mol. Its IUPAC name is 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID19818997
Molecular FormulaC7H3F9O2
Molecular Weight290.08 g/mol
Exact Mass290.00
IUPAC Name4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C7H3F9O2/c1-2-3(8)7(15,16)18-4(17-3,5(9,10)11)6(12,13)14/h2H,1H2
InChIKeyAVKGFBOTRINFBB-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-Bis(trifluoromethyl)-4,5-difluoro-4,5-divinyl-1,3-dioxolane
CID 11022884
(4R,5R)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 11779414
2,2-Bis(ethenyl)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 19692089
2,2-Bis(trifluoromethyl)-4-vinyl-1,3-dioxolane
CID 19818990
2-Ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 21015219
4-Ethenyl-2-fluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 22891804
(4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 54552205
(4S,5R)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 10469944
2-(2,2-Difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane
CID 158498742

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 19818997) is 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is C=CC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)F.
What is the InChIKey of 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is AVKGFBOTRINFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F9O2/c1-2-3(8)7(15,16)18-4(17-3,5(9,10)11)6(12,13)14/h2H,1H2.
What are the key properties of 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 290.08 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 19818997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).