4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane

C10H6F12O5 — CID 88560957

IUPAC4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane
SMILESCOC1(C(F)(F)F)OC(F)(F)C(F)(C2(F)OC(C)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C10H6F12O5/c1-3(6(13,14)15)24-4(11,8(19,20)25-3)5(12)9(21,22)27-10(23-2,26-5)7(16,17)18/h1-2H3
InChIKeyJTYPEUGGRVREHK-UHFFFAOYSA-N
MW434.13 g/mol
LogP3.74
Rot. Bonds2

About 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane

4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane (PubChem CID 88560957) has the molecular formula C10H6F12O5 and a molecular weight of 434.13 g/mol. Its IUPAC name is 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane
PubChem CID88560957
Molecular FormulaC10H6F12O5
Molecular Weight434.13 g/mol
Exact Mass434.00
IUPAC Name4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane
SMILESCOC1(C(F)(F)F)OC(F)(F)C(F)(C2(F)OC(C)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C10H6F12O5/c1-3(6(13,14)15)24-4(11,8(19,20)25-3)5(12)9(21,22)27-10(23-2,26-5)7(16,17)18/h1-2H3
InChIKeyJTYPEUGGRVREHK-UHFFFAOYSA-N
XLogP3.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.13
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane?
The IUPAC name of 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane (CID 88560957) is 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane.
What is the SMILES notation for 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane?
The canonical SMILES for 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane is COC1(C(F)(F)F)OC(F)(F)C(F)(C2(F)OC(C)(C(F)(F)F)OC2(F)F)O1.
What is the InChIKey of 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane?
The InChIKey is JTYPEUGGRVREHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12O5/c1-3(6(13,14)15)24-4(11,8(19,20)25-3)5(12)9(21,22)27-10(23-2,26-5)7(16,17)18/h1-2H3.
What are the key properties of 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane?
4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane has a molecular weight of 434.13 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-2-methoxy-2-(trifluoromethyl)-5-[4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-1,3-dioxolane is sourced from PubChem (CID 88560957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).