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

C11H6F14O5 — CID 88560958

IUPAC4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C2(F)OC(C)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C11H6F14O5/c1-3(7(16,17)18)27-5(14,9(22,23)28-3)4(12,13)6(15)10(24,25)30-11(26-2,29-6)8(19,20)21/h1-2H3
InChIKeyQYCROLRFTRECFP-UHFFFAOYSA-N
MW484.14 g/mol
LogP4.37
Rot. Bonds3

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

4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 88560958) has the molecular formula C11H6F14O5 and a molecular weight of 484.14 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-methyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID88560958
Molecular FormulaC11H6F14O5
Molecular Weight484.14 g/mol
Exact Mass484.00
IUPAC Name4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C2(F)OC(C)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C11H6F14O5/c1-3(7(16,17)18)27-5(14,9(22,23)28-3)4(12,13)6(15)10(24,25)30-11(26-2,29-6)8(19,20)21/h1-2H3
InChIKeyQYCROLRFTRECFP-UHFFFAOYSA-N
XLogP4.37
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.14
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2,2-Bis(2-methoxytetrafluoroethyl)-1,3-dioxolane
CID 14401463
2-Ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 59628158
2-Ethyl-4-[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 59628174
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
4-[[Difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 88862541
[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
2-(Difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-1,3-dioxolane
CID 89284029
4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)-(1,1,2,2-tetrafluoropropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 118151294
[4-[[2-(1,1-Difluoroethyl)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolan-2-yl]-difluoromethanol
CID 57548663
2,4,4,7,7,8,8-Heptafluoro-2-(trifluoromethyl)-1,3,6-trioxaspiro[4.4]nonane
CID 101266798

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-methyl-2-(trifluoromethyl)-1,3-dioxolane?
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-methyl-2-(trifluoromethyl)-1,3-dioxolane (CID 88560958) is 4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane.
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-methyl-2-(trifluoromethyl)-1,3-dioxolane?
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-methyl-2-(trifluoromethyl)-1,3-dioxolane is COC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C2(F)OC(C)(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-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is QYCROLRFTRECFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F14O5/c1-3(7(16,17)18)27-5(14,9(22,23)28-3)4(12,13)6(15)10(24,25)30-11(26-2,29-6)8(19,20)21/h1-2H3.
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-methyl-2-(trifluoromethyl)-1,3-dioxolane?
4-[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 484.14 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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-methyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 88560958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).