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

C8H6F10O2 — CID 118404130

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

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

2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 118404130) has the molecular formula C8H6F10O2 and a molecular weight of 324.11 g/mol. Its IUPAC name is 2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID118404130
Molecular FormulaC8H6F10O2
Molecular Weight324.11 g/mol
Exact Mass324.02
IUPAC Name2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)OC(F)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C8H6F10O2/c1-3(9,10)5(12,13)6(14)4(2,11)19-8(18,20-6)7(15,16)17/h1-2H3
InChIKeyQYOPUIYPWCDCHX-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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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 118404130) is 2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane is CC(F)(F)C(F)(F)C1(F)OC(F)(C(F)(F)F)OC1(C)F.
What is the InChIKey of 2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is QYOPUIYPWCDCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F10O2/c1-3(9,10)5(12,13)6(14)4(2,11)19-8(18,20-6)7(15,16)17/h1-2H3.
What are the key properties of 2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane?
2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(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 2,4,5-trifluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 118404130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).