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

C8H6F10O2 — CID 23553810

IUPAC2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)OC(F)(F)OC1(C)C(F)(F)F
InChIInChI=1S/C8H6F10O2/c1-3(7(14,15)16)6(13,20-8(17,18)19-3)5(11,12)4(2,9)10/h1-2H3
InChIKeyNRTJFBCRRJKTRI-UHFFFAOYSA-N
MW324.11 g/mol
LogP3.86
Rot. Bonds2

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

2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane (PubChem CID 23553810) has the molecular formula C8H6F10O2 and a molecular weight of 324.11 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane
PubChem CID23553810
Molecular FormulaC8H6F10O2
Molecular Weight324.11 g/mol
Exact Mass324.02
IUPAC Name2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)OC(F)(F)OC1(C)C(F)(F)F
InChIInChI=1S/C8H6F10O2/c1-3(7(14,15)16)6(13,20-8(17,18)19-3)5(11,12)4(2,9)10/h1-2H3
InChIKeyNRTJFBCRRJKTRI-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-Difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 18683775
2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane
CID 18710858
2,2,4-Trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane
CID 23553811
2,2,4-Trifluoro-5-methyl-4-propyl-5-(trifluoromethoxy)-1,3-dioxolane
CID 60032767
(2R)-2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 88848821
4,5-Ditert-butyl-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
CID 89652583
2,2,4,5-Tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
CID 91328787
4,5-Difluoro-4,5-di(propan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 117783684
2,4,5-Trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 118404130
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
4-(3,3-Difluorobutan-2-yl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 164106046
2-(1,1-Difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane
CID 166648315

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane (CID 23553810) is 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane is CC(F)(F)C(F)(F)C1(F)OC(F)(F)OC1(C)C(F)(F)F.
What is the InChIKey of 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is NRTJFBCRRJKTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F10O2/c1-3(7(14,15)16)6(13,20-8(17,18)19-3)5(11,12)4(2,9)10/h1-2H3.
What are the key properties of 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane?
2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 324.11 g/mol, XLogP of 3.86, 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-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 23553810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).