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

C15H12F14O4 — CID 158498741

IUPAC2-(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
SMILESCC1(C(F)(F)C=C(F)F)OCC(F)(C(F)(F)F)O1.CC1(C=C(F)F)OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C8H6F8O2.C7H6F6O2/c1-5(6(11,12)2-4(9)10)17-3-7(13,18-5)8(14,15)16;1-5(2-4(8)9)14-3-6(10,15-5)7(11,12)13/h2H,3H2,1H3;2H,3H2,1H3
InChIKeyHJPUXVIYLQLWHM-UHFFFAOYSA-N
MW522.23 g/mol
LogP6.15
Rot. Bonds3

About 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

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 (PubChem CID 158498741) has the molecular formula C15H12F14O4 and a molecular weight of 522.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158498741
Molecular FormulaC15H12F14O4
Molecular Weight522.23 g/mol
Exact Mass522.05
IUPAC Name2-(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
SMILESCC1(C(F)(F)C=C(F)F)OCC(F)(C(F)(F)F)O1.CC1(C=C(F)F)OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C8H6F8O2.C7H6F6O2/c1-5(6(11,12)2-4(9)10)17-3-7(13,18-5)8(14,15)16;1-5(2-4(8)9)14-3-6(10,15-5)7(11,12)13/h2H,3H2,1H3;2H,3H2,1H3
InChIKeyHJPUXVIYLQLWHM-UHFFFAOYSA-N
XLogP6.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.23
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

2,2-Bis(Trifluoromethyl)-4,5-Divinyl-1,3-Dioxolane
CID 19099814
2-Methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;tetrafluoromethane
CID 123474429
2-(2,2-Difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)
CID 157182120
4-Fluoro-2-methyl-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-4-(trifluoromethyl)-1,3-dioxolane;4-fluoro-2-methyl-2-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)-1,3-dioxolane
CID 160564089
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
2-Ethenyl-2-(2-ethenyl-1,3-dioxolan-2-yl)-1,3-dioxolane
CID 88861354
2-(2,2-Difluoroethenyl)-2-methyl-1,3-dioxolane;tetrafluoromethane
CID 123989060

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C(F)(F)C=C(F)F)OCC(F)(C(F)(F)F)O1.CC1(C=C(F)F)OCC(F)(C(F)(F)F)O1.
What is the InChIKey of 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?
The InChIKey is HJPUXVIYLQLWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8O2.C7H6F6O2/c1-5(6(11,12)2-4(9)10)17-3-7(13,18-5)8(14,15)16;1-5(2-4(8)9)14-3-6(10,15-5)7(11,12)13/h2H,3H2,1H3;2H,3H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 522.23 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158498741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).