2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane

C18H22F12O2 — CID 21053314

IUPAC2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCOCOC(C1C2CC(C(C)C2C)C1C(C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H22F12O2/c1-7-8(2)10-5-9(7)11(13(3,15(19,20)21)16(22,23)24)12(10)14(17(25,26)27,18(28,29)30)32-6-31-4/h7-12H,5-6H2,1-4H3
InChIKeyKZIBAEGGATYHAA-UHFFFAOYSA-N
MW498.35 g/mol
LogP6.76
Rot. Bonds5

About 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane

2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane (PubChem CID 21053314) has the molecular formula C18H22F12O2 and a molecular weight of 498.35 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane
PubChem CID21053314
Molecular FormulaC18H22F12O2
Molecular Weight498.35 g/mol
Exact Mass498.14
IUPAC Name2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCOCOC(C1C2CC(C(C)C2C)C1C(C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H22F12O2/c1-7-8(2)10-5-9(7)11(13(3,15(19,20)21)16(22,23)24)12(10)14(17(25,26)27,18(28,29)30)32-6-31-4/h7-12H,5-6H2,1-4H3
InChIKeyKZIBAEGGATYHAA-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.35
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane (CID 21053314) is 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane is COCOC(C1C2CC(C(C)C2C)C1C(C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane?
The InChIKey is KZIBAEGGATYHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F12O2/c1-7-8(2)10-5-9(7)11(13(3,15(19,20)21)16(22,23)24)12(10)14(17(25,26)27,18(28,29)30)32-6-31-4/h7-12H,5-6H2,1-4H3.
What are the key properties of 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane?
2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane has a molecular weight of 498.35 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5,6-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 21053314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).