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

C14H17F9O3 — CID 20743923

IUPAC2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane
SMILESCOCCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C14H17F9O3/c1-24-4-5-25-7-26-12(13(18,19)20,14(21,22)23)10(15)8-2-3-9(6-8)11(10,16)17/h8-9H,2-7H2,1H3
InChIKeyUVWUHEYREMTXKS-UHFFFAOYSA-N
MW404.27 g/mol
LogP4.26
Rot. Bonds7

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

2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane (PubChem CID 20743923) has the molecular formula C14H17F9O3 and a molecular weight of 404.27 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[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]bicyclo[2.2.1]heptane
PubChem CID20743923
Molecular FormulaC14H17F9O3
Molecular Weight404.27 g/mol
Exact Mass404.10
IUPAC Name2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane
SMILESCOCCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C14H17F9O3/c1-24-4-5-25-7-26-12(13(18,19)20,14(21,22)23)10(15)8-2-3-9(6-8)11(10,16)17/h8-9H,2-7H2,1H3
InChIKeyUVWUHEYREMTXKS-UHFFFAOYSA-N
XLogP4.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 54.26
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]bicyclo[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]bicyclo[2.2.1]heptane (CID 20743923) is 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[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]bicyclo[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]bicyclo[2.2.1]heptane is COCCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CCC(C2)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]bicyclo[2.2.1]heptane?
The InChIKey is UVWUHEYREMTXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F9O3/c1-24-4-5-25-7-26-12(13(18,19)20,14(21,22)23)10(15)8-2-3-9(6-8)11(10,16)17/h8-9H,2-7H2,1H3.
What are the key properties of 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane?
2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane has a molecular weight of 404.27 g/mol, XLogP of 4.26, 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]bicyclo[2.2.1]heptane is sourced from PubChem (CID 20743923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).