5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran

C21H22F6O6 — CID 138858379

IUPAC5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran
SMILESCOC(OC)c1cc(C2=C(c3cc(C(OC)OC)oc3C)C(F)(F)C(F)(F)C2(F)F)c(C)o1
InChIInChI=1S/C21H22F6O6/c1-9-11(7-13(32-9)17(28-3)29-4)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)2)18(30-5)31-6/h7-8,17-18H,1-6H3
InChIKeyMCOQOEHNXCNWMY-UHFFFAOYSA-N
MW484.39 g/mol
LogP5.90
Rot. Bonds8

About 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran

5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran (PubChem CID 138858379) has the molecular formula C21H22F6O6 and a molecular weight of 484.39 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran.

Molecular Properties

Compound Name5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran
PubChem CID138858379
Molecular FormulaC21H22F6O6
Molecular Weight484.39 g/mol
Exact Mass484.13
IUPAC Name5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran
SMILESCOC(OC)c1cc(C2=C(c3cc(C(OC)OC)oc3C)C(F)(F)C(F)(F)C2(F)F)c(C)o1
InChIInChI=1S/C21H22F6O6/c1-9-11(7-13(32-9)17(28-3)29-4)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)2)18(30-5)31-6/h7-8,17-18H,1-6H3
InChIKeyMCOQOEHNXCNWMY-UHFFFAOYSA-N
XLogP5.90
TPSA63.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran?
The IUPAC name of 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran (CID 138858379) is 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran.
What is the SMILES notation for 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran?
The canonical SMILES for 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran is COC(OC)c1cc(C2=C(c3cc(C(OC)OC)oc3C)C(F)(F)C(F)(F)C2(F)F)c(C)o1.
What is the InChIKey of 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran?
The InChIKey is MCOQOEHNXCNWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F6O6/c1-9-11(7-13(32-9)17(28-3)29-4)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)2)18(30-5)31-6/h7-8,17-18H,1-6H3.
What are the key properties of 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran?
5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran has a molecular weight of 484.39 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-3-[2-[5-(dimethoxymethyl)-2-methylfuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylfuran is sourced from PubChem (CID 138858379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).