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

C11H6F14O6 — CID 88862543

IUPAC[4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol
SMILESCOC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C2(F)OC(CO)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C11H6F14O6/c1-27-11(8(19,20)21)30-6(15,10(24,25)31-11)4(12,13)5(14)9(22,23)29-3(2-26,28-5)7(16,17)18/h26H,2H2,1H3
InChIKeyWLSBUQURLGULHF-UHFFFAOYSA-N
MW500.14 g/mol
LogP3.35
Rot. Bonds4

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

[4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol (PubChem CID 88862543) has the molecular formula C11H6F14O6 and a molecular weight of 500.14 g/mol. Its IUPAC name is [4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol
PubChem CID88862543
Molecular FormulaC11H6F14O6
Molecular Weight500.14 g/mol
Exact Mass499.99
IUPAC Name[4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol
SMILESCOC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C2(F)OC(CO)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C11H6F14O6/c1-27-11(8(19,20)21)30-6(15,10(24,25)31-11)4(12,13)5(14)9(22,23)29-3(2-26,28-5)7(16,17)18/h26H,2H2,1H3
InChIKeyWLSBUQURLGULHF-UHFFFAOYSA-N
XLogP3.35
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol (CID 88862543) is [4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol is COC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C2(F)OC(CO)(C(F)(F)F)OC2(F)F)O1.
What is the InChIKey of [4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is WLSBUQURLGULHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F14O6/c1-27-11(8(19,20)21)30-6(15,10(24,25)31-11)4(12,13)5(14)9(22,23)29-3(2-26,28-5)7(16,17)18/h26H,2H2,1H3.
What are the key properties of [4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol?
[4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 500.14 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 88862543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).