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

C16H23F7O3 — CID 20743932

IUPAC2-fluoro-2-[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)CC2CC1C(C)C2C
InChIInChI=1S/C16H23F7O3/c1-9-10(2)12-6-11(9)7-13(12,17)14(15(18,19)20,16(21,22)23)26-8-25-5-4-24-3/h9-12H,4-8H2,1-3H3
InChIKeyUMNCFALHNXAMMM-UHFFFAOYSA-N
MW396.34 g/mol
LogP4.51
Rot. Bonds7

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

2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane (PubChem CID 20743932) has the molecular formula C16H23F7O3 and a molecular weight of 396.34 g/mol. Its IUPAC name is 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
PubChem CID20743932
Molecular FormulaC16H23F7O3
Molecular Weight396.34 g/mol
Exact Mass396.15
IUPAC Name2-fluoro-2-[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)CC2CC1C(C)C2C
InChIInChI=1S/C16H23F7O3/c1-9-10(2)12-6-11(9)7-13(12,17)14(15(18,19)20,16(21,22)23)26-8-25-5-4-24-3/h9-12H,4-8H2,1-3H3
InChIKeyUMNCFALHNXAMMM-UHFFFAOYSA-N
XLogP4.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 54.51
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-fluoro-2-[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-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane (CID 20743932) is 2-fluoro-2-[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-fluoro-2-[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-fluoro-2-[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)CC2CC1C(C)C2C.
What is the InChIKey of 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
The InChIKey is UMNCFALHNXAMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F7O3/c1-9-10(2)12-6-11(9)7-13(12,17)14(15(18,19)20,16(21,22)23)26-8-25-5-4-24-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
2-fluoro-2-[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 396.34 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[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 20743932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).