2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane

C10H7F13O2 — CID 59628153

IUPAC2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane
SMILESCCC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C(F)(F)CF)C(F)(F)O1
InChIInChI=1S/C10H7F13O2/c1-2-5(8(17,18)19)24-9(20,21)6(14,10(22,23)25-5)7(15,16)4(12,13)3-11/h2-3H2,1H3
InChIKeyHPZRNULDIUVTER-UHFFFAOYSA-N
MW406.14 g/mol
LogP4.84
Rot. Bonds4

About 2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane

2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane (PubChem CID 59628153) has the molecular formula C10H7F13O2 and a molecular weight of 406.14 g/mol. Its IUPAC name is 2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane
PubChem CID59628153
Molecular FormulaC10H7F13O2
Molecular Weight406.14 g/mol
Exact Mass406.02
IUPAC Name2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane
SMILESCCC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C(F)(F)CF)C(F)(F)O1
InChIInChI=1S/C10H7F13O2/c1-2-5(8(17,18)19)24-9(20,21)6(14,10(22,23)25-5)7(15,16)4(12,13)3-11/h2-3H2,1H3
InChIKeyHPZRNULDIUVTER-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.14
LogP ≤ 54.84
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-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane?
The IUPAC name of 2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane (CID 59628153) is 2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane.
What is the SMILES notation for 2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane?
The canonical SMILES for 2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane is CCC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C(F)(F)CF)C(F)(F)O1.
What is the InChIKey of 2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane?
The InChIKey is HPZRNULDIUVTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F13O2/c1-2-5(8(17,18)19)24-9(20,21)6(14,10(22,23)25-5)7(15,16)4(12,13)3-11/h2-3H2,1H3.
What are the key properties of 2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane?
2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane has a molecular weight of 406.14 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane is sourced from PubChem (CID 59628153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).