4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane

C10H10F10O2 — CID 22887513

IUPAC4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC(F)(F)C(F)(F)C1(F)OC(F)(C(F)(F)F)OC1(F)CC
InChIInChI=1S/C10H10F10O2/c1-3-5(11,12)7(14,15)8(16)6(13,4-2)21-10(20,22-8)9(17,18)19/h3-4H2,1-2H3
InChIKeyQPQOCILORJQEEQ-UHFFFAOYSA-N
MW352.17 g/mol
LogP4.64
Rot. Bonds4

About 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane

4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 22887513) has the molecular formula C10H10F10O2 and a molecular weight of 352.17 g/mol. Its IUPAC name is 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID22887513
Molecular FormulaC10H10F10O2
Molecular Weight352.17 g/mol
Exact Mass352.05
IUPAC Name4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC(F)(F)C(F)(F)C1(F)OC(F)(C(F)(F)F)OC1(F)CC
InChIInChI=1S/C10H10F10O2/c1-3-5(11,12)7(14,15)8(16)6(13,4-2)21-10(20,22-8)9(17,18)19/h3-4H2,1-2H3
InChIKeyQPQOCILORJQEEQ-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane with MolForge

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Related Compounds

4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-2,2-dimethyl-1,3-dioxolane
CID 11971316
1,3-Dioxolane, 4-ethyl-5-octyl-2,2-bis(trifluoromethyl)-, trans-
CID 91694992
cis-4-Pentyl-5-propyl-2,2-bis(trifluoro methyl)-1,3-dioxolane
CID 101834213
1,3-Dioxolane, 4-ethyl-5-hexyl-2,2-bis(trifluoromethyl)-
CID 38001
4,5-Dipropyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549956
4-Hexyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549958
4-Methyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549961
4-Ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 550138
4,5-Dibutyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 550141
4-Ethyl-5-octyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 550234
4-Butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 550312
4-Pentyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 557901

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 22887513) is 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane is CCC(F)(F)C(F)(F)C1(F)OC(F)(C(F)(F)F)OC1(F)CC.
What is the InChIKey of 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is QPQOCILORJQEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10O2/c1-3-5(11,12)7(14,15)8(16)6(13,4-2)21-10(20,22-8)9(17,18)19/h3-4H2,1-2H3.
What are the key properties of 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane?
4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 352.17 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 22887513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).