2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane

C7H6F6O2 — CID 158498742

IUPAC2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C=C(F)F)OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C7H6F6O2/c1-5(2-4(8)9)14-3-6(10,15-5)7(11,12)13/h2H,3H2,1H3
InChIKeyYOWSFTXVQPWROZ-UHFFFAOYSA-N
MW236.11 g/mol
LogP2.76
Rot. Bonds1

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

2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane (PubChem CID 158498742) has the molecular formula C7H6F6O2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane
PubChem CID158498742
Molecular FormulaC7H6F6O2
Molecular Weight236.11 g/mol
Exact Mass236.03
IUPAC Name2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C=C(F)F)OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C7H6F6O2/c1-5(2-4(8)9)14-3-6(10,15-5)7(11,12)13/h2H,3H2,1H3
InChIKeyYOWSFTXVQPWROZ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane (CID 158498742) is 2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane is 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?
The InChIKey is YOWSFTXVQPWROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O2/c1-5(2-4(8)9)14-3-6(10,15-5)7(11,12)13/h2H,3H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane?
2-(2,2-difluoroethenyl)-4-fluoro-2-methyl-4-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 236.11 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 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 is sourced from PubChem (CID 158498742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).