2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane

C9H8F10O3 — CID 22088871

IUPAC2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)CC1(F)OC(F)(F)OC1(C)OC(F)(F)F
InChIInChI=1S/C9H8F10O3/c1-4(10,11)6(12,13)3-7(14)5(2,20-8(15,16)17)21-9(18,19)22-7/h3H2,1-2H3
InChIKeyGEVIIXYTUWLZQW-UHFFFAOYSA-N
MW354.14 g/mol
LogP4.18
Rot. Bonds4

About 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane

2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane (PubChem CID 22088871) has the molecular formula C9H8F10O3 and a molecular weight of 354.14 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane
PubChem CID22088871
Molecular FormulaC9H8F10O3
Molecular Weight354.14 g/mol
Exact Mass354.03
IUPAC Name2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)CC1(F)OC(F)(F)OC1(C)OC(F)(F)F
InChIInChI=1S/C9H8F10O3/c1-4(10,11)6(12,13)3-7(14)5(2,20-8(15,16)17)21-9(18,19)22-7/h3H2,1-2H3
InChIKeyGEVIIXYTUWLZQW-UHFFFAOYSA-N
XLogP4.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane (CID 22088871) is 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane is CC(F)(F)C(F)(F)CC1(F)OC(F)(F)OC1(C)OC(F)(F)F.
What is the InChIKey of 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane?
The InChIKey is GEVIIXYTUWLZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10O3/c1-4(10,11)6(12,13)3-7(14)5(2,20-8(15,16)17)21-9(18,19)22-7/h3H2,1-2H3.
What are the key properties of 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane?
2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane has a molecular weight of 354.14 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane is sourced from PubChem (CID 22088871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).