2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane

C12H16F8O2 — CID 129082259

IUPAC2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)C(C)(C)C1(C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C12H16F8O2/c1-6(2)7(3,4)8(5)21-9(13,11(15,16)17)10(14,22-8)12(18,19)20/h6H,1-5H3
InChIKeyAMVOJFCLPMHXJS-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.89
Rot. Bonds2

About 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane

2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 129082259) has the molecular formula C12H16F8O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID129082259
Molecular FormulaC12H16F8O2
Molecular Weight344.24 g/mol
Exact Mass344.10
IUPAC Name2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)C(C)(C)C1(C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C12H16F8O2/c1-6(2)7(3,4)8(5)21-9(13,11(15,16)17)10(14,22-8)12(18,19)20/h6H,1-5H3
InChIKeyAMVOJFCLPMHXJS-UHFFFAOYSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane (CID 129082259) is 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane is CC(C)C(C)(C)C1(C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is AMVOJFCLPMHXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F8O2/c1-6(2)7(3,4)8(5)21-9(13,11(15,16)17)10(14,22-8)12(18,19)20/h6H,1-5H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 344.24 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 129082259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).