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

C9H8F6O2 — CID 19099814

IUPAC4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1OC(C(F)(F)F)(C(F)(F)F)OC1C=C
InChIInChI=1S/C9H8F6O2/c1-3-5-6(4-2)17-7(16-5,8(10,11)12)9(13,14)15/h3-6H,1-2H2
InChIKeyKAQKYLXVKHPORM-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.96
Rot. Bonds2

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

4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 19099814) has the molecular formula C9H8F6O2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID19099814
Molecular FormulaC9H8F6O2
Molecular Weight262.15 g/mol
Exact Mass262.04
IUPAC Name4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1OC(C(F)(F)F)(C(F)(F)F)OC1C=C
InChIInChI=1S/C9H8F6O2/c1-3-5-6(4-2)17-7(16-5,8(10,11)12)9(13,14)15/h3-6H,1-2H2
InChIKeyKAQKYLXVKHPORM-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.96
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-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
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
4,5-Bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 67892977
5-Ethenyl-4,4-difluoro-1,3-dioxolan-2-one
CID 150012093
2-(2,2-Difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane;4-fluoro-2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-4-(trifluoromethyl)-1,3-dioxolane
CID 158498741
4-Fluoro-2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-4-(trifluoromethyl)-1,3-dioxolane;4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane
CID 161871845
1,3-Dioxolane, 2,2-dimethyl-4,5-divinyl-
CID 538638

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 19099814) is 4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is C=CC1OC(C(F)(F)F)(C(F)(F)F)OC1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is KAQKYLXVKHPORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O2/c1-3-5-6(4-2)17-7(16-5,8(10,11)12)9(13,14)15/h3-6H,1-2H2.
What are the key properties of 4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,5-bis(ethenyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 262.15 g/mol, XLogP of 2.96, 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)-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 19099814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).