2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane

C7H9F5O2 — CID 58696612

IUPAC2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane
SMILESCC(F)(F)C1(C)OC(C)(F)C(F)(F)O1
InChIInChI=1S/C7H9F5O2/c1-4(8,9)6(3)13-5(2,10)7(11,12)14-6/h1-3H3
InChIKeyPZCNUVWVYNGBQT-UHFFFAOYSA-N
MW220.14 g/mol
LogP2.68
Rot. Bonds1

About 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane

2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane (PubChem CID 58696612) has the molecular formula C7H9F5O2 and a molecular weight of 220.14 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane
PubChem CID58696612
Molecular FormulaC7H9F5O2
Molecular Weight220.14 g/mol
Exact Mass220.05
IUPAC Name2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane
SMILESCC(F)(F)C1(C)OC(C)(F)C(F)(F)O1
InChIInChI=1S/C7H9F5O2/c1-4(8,9)6(3)13-5(2,10)7(11,12)14-6/h1-3H3
InChIKeyPZCNUVWVYNGBQT-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 163960521
2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;octa-2,4,6-triyne
CID 163572063
2,2,3-trifluoro-3-methyloxirane
CID 22289961
2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 22090858
2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane
CID 19745411
2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne
CID 163624041
2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid
CID 22750743
2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane
CID 58545276
2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane
CID 58961464
1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane
CID 89234659
2,2-difluoropropane;ethane
CID 144524394
2,2,3,4,4,5-hexafluoro-3,5-dimethyloxolane
CID 118020327

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane?
The IUPAC name of 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane (CID 58696612) is 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane?
The canonical SMILES for 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane is CC(F)(F)C1(C)OC(C)(F)C(F)(F)O1.
What is the InChIKey of 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane?
The InChIKey is PZCNUVWVYNGBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O2/c1-4(8,9)6(3)13-5(2,10)7(11,12)14-6/h1-3H3.
What are the key properties of 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane?
2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane has a molecular weight of 220.14 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane is sourced from PubChem (CID 58696612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).