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

C7H6F6O2 — CID 19818990

IUPAC4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H6F6O2/c1-2-4-3-14-5(15-4,6(8,9)10)7(11,12)13/h2,4H,1,3H2
InChIKeyVJXAPKUMMCKJNE-UHFFFAOYSA-N
MW236.11 g/mol
LogP2.41
Rot. Bonds1

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

4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 19818990) has the molecular formula C7H6F6O2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID19818990
Molecular FormulaC7H6F6O2
Molecular Weight236.11 g/mol
Exact Mass236.03
IUPAC Name4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H6F6O2/c1-2-4-3-14-5(15-4,6(8,9)10)7(11,12)13/h2,4H,1,3H2
InChIKeyVJXAPKUMMCKJNE-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 52.41
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-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(Trifluoromethyl)-4,5-Divinyl-1,3-Dioxolane
CID 19099814
2,2-Bis(ethenyl)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 19692089
2,2-Bis(trifluoromethyl)-4-vinyl-4,5,5-trifluoro-1,3-dioxolane
CID 19818997
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
4-Ethenyl-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 54426350
(4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 54552205
(4S,5S)-2,2-bis(ethenyl)-4,5-difluoro-1,3-dioxolane
CID 67719040

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 19818990) is 4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is C=CC1COC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is VJXAPKUMMCKJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O2/c1-2-4-3-14-5(15-4,6(8,9)10)7(11,12)13/h2,4H,1,3H2.
What are the key properties of 4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 236.11 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 19818990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).