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

C7H9F3O2 — CID 54426350

IUPAC4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1COC(C)(C(F)(F)F)O1
InChIInChI=1S/C7H9F3O2/c1-3-5-4-11-6(2,12-5)7(8,9)10/h3,5H,1,4H2,2H3
InChIKeyWEIREHYLONFRGG-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.87
Rot. Bonds1

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

4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 54426350) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID54426350
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1COC(C)(C(F)(F)F)O1
InChIInChI=1S/C7H9F3O2/c1-3-5-4-11-6(2,12-5)7(8,9)10/h3,5H,1,4H2,2H3
InChIKeyWEIREHYLONFRGG-UHFFFAOYSA-N
XLogP1.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.87
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

(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
2,2-Bis(Trifluoromethyl)-4,5-Divinyl-1,3-Dioxolane
CID 19099814
2,2-Bis(trifluoromethyl)-4-vinyl-1,3-dioxolane
CID 19818990
2-Ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 21015219
2,2-Bis(ethenyl)-4,5-difluoro-1,3-dioxolane
CID 21479539
4-Ethenyl-2-fluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 22891804
(4R,5R)-2,2-bis(ethenyl)-4,5-difluoro-1,3-dioxolane
CID 54387535
2-(2,2-Difluoroethenyl)-2-methyl-1,3-dioxolane
CID 58122662
(4-Ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl 3,3,3-trifluoropropanoate
CID 58696613
(4S,5S)-2,2-bis(ethenyl)-4,5-difluoro-1,3-dioxolane
CID 67719040
4,5-Bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 67892977
5-Ethenyl-4,4-difluoro-1,3-dioxolan-2-one
CID 150012093

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane (CID 54426350) is 4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane is C=CC1COC(C)(C(F)(F)F)O1.
What is the InChIKey of 4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is WEIREHYLONFRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-3-5-4-11-6(2,12-5)7(8,9)10/h3,5H,1,4H2,2H3.
What are the key properties of 4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?
4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 182.14 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 54426350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).