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

C16H21F9O3 — CID 20743925

IUPAC2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCOCCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F
InChIInChI=1S/C16H21F9O3/c1-8-9(2)11-6-10(8)12(17,13(11,18)19)14(15(20,21)22,16(23,24)25)28-7-27-5-4-26-3/h8-11H,4-7H2,1-3H3
InChIKeyALSTYFFOAGLIPH-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.75
Rot. Bonds7

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

2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane (PubChem CID 20743925) has the molecular formula C16H21F9O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
PubChem CID20743925
Molecular FormulaC16H21F9O3
Molecular Weight432.32 g/mol
Exact Mass432.13
IUPAC Name2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCOCCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F
InChIInChI=1S/C16H21F9O3/c1-8-9(2)11-6-10(8)12(17,13(11,18)19)14(15(20,21)22,16(23,24)25)28-7-27-5-4-26-3/h8-11H,4-7H2,1-3H3
InChIKeyALSTYFFOAGLIPH-UHFFFAOYSA-N
XLogP4.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane (CID 20743925) is 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane is COCCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
The InChIKey is ALSTYFFOAGLIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F9O3/c1-8-9(2)11-6-10(8)12(17,13(11,18)19)14(15(20,21)22,16(23,24)25)28-7-27-5-4-26-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane has a molecular weight of 432.32 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 20743925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).