2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane

C8H10F6O2 — CID 23553811

IUPAC2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane
SMILESCCCC1(F)OC(F)(F)OC1(C)C(F)(F)F
InChIInChI=1S/C8H10F6O2/c1-3-4-6(9)5(2,7(10,11)12)15-8(13,14)16-6/h3-4H2,1-2H3
InChIKeyXEDOXLSTGYRFSB-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.37
Rot. Bonds2

About 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane

2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane (PubChem CID 23553811) has the molecular formula C8H10F6O2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane
PubChem CID23553811
Molecular FormulaC8H10F6O2
Molecular Weight252.15 g/mol
Exact Mass252.06
IUPAC Name2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane
SMILESCCCC1(F)OC(F)(F)OC1(C)C(F)(F)F
InChIInChI=1S/C8H10F6O2/c1-3-4-6(9)5(2,7(10,11)12)15-8(13,14)16-6/h3-4H2,1-2H3
InChIKeyXEDOXLSTGYRFSB-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane
CID 18710858
2,2,4-Trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane
CID 18710860
4,5-Difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 20743579
2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 23553810
(2S)-4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 57603791
2-(Difluoromethylidene)-4-(fluoromethyl)-4,5-dimethyl-5-(1,1,2-trifluoroethyl)-1,3-dioxolane
CID 57983727
2,2,4-Trifluoro-5-methyl-4-propyl-5-(trifluoromethoxy)-1,3-dioxolane
CID 60032767
4,5-Difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 76623523
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
4,5-Ditert-butyl-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
CID 89652583

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane (CID 23553811) is 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane is CCCC1(F)OC(F)(F)OC1(C)C(F)(F)F.
What is the InChIKey of 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is XEDOXLSTGYRFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O2/c1-3-4-6(9)5(2,7(10,11)12)15-8(13,14)16-6/h3-4H2,1-2H3.
What are the key properties of 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane?
2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 252.15 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 23553811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).