2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane

C14H6F22O2 — CID 162769789

IUPAC2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane
SMILESCC(F)(F)C1(C)OC(F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C14H6F22O2/c1-3(15,16)4(2)37-7(17,5(9(19,20)21,10(22,23)24)11(25,26)27)8(18,38-4)6(12(28,29)30,13(31,32)33)14(34,35)36/h1-2H3
InChIKeyLBSBCFKJTXMXSD-UHFFFAOYSA-N
MW624.16 g/mol
LogP8.08
Rot. Bonds3

About 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane

2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane (PubChem CID 162769789) has the molecular formula C14H6F22O2 and a molecular weight of 624.16 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane
PubChem CID162769789
Molecular FormulaC14H6F22O2
Molecular Weight624.16 g/mol
Exact Mass624.00
IUPAC Name2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane
SMILESCC(F)(F)C1(C)OC(F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C14H6F22O2/c1-3(15,16)4(2)37-7(17,5(9(19,20)21,10(22,23)24)11(25,26)27)8(18,38-4)6(12(28,29)30,13(31,32)33)14(34,35)36/h1-2H3
InChIKeyLBSBCFKJTXMXSD-UHFFFAOYSA-N
XLogP8.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.16
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane with MolForge

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Related Compounds

2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 23553810
2,2,4-Trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane
CID 23553811
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
CID 67950645
4,5-Ditert-butyl-4,5-difluoro-2,2-dimethyl-1,3-dioxolane
CID 68073063
2-Tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
CID 71039348
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 88037601
4,5-Ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 88558595
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 88871601
4-Tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 88895495
4,5-Bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 89254563
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylbutyl)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 89652577
2-Tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 89652578

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane (CID 162769789) is 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane is CC(F)(F)C1(C)OC(F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane?
The InChIKey is LBSBCFKJTXMXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F22O2/c1-3(15,16)4(2)37-7(17,5(9(19,20)21,10(22,23)24)11(25,26)27)8(18,38-4)6(12(28,29)30,13(31,32)33)14(34,35)36/h1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane?
2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane has a molecular weight of 624.16 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 162769789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).