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

C16H24F6O3 — CID 58205767

IUPAC2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane
SMILESCOCCOCOC(C)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F
InChIInChI=1S/C16H24F6O3/c1-9-10(2)12-7-11(9)14(17,15(12,18)19)13(3,16(20,21)22)25-8-24-6-5-23-4/h9-12H,5-8H2,1-4H3
InChIKeyPQOUOYLPZVACIJ-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.21
Rot. Bonds7

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

2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane (PubChem CID 58205767) has the molecular formula C16H24F6O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane
PubChem CID58205767
Molecular FormulaC16H24F6O3
Molecular Weight378.35 g/mol
Exact Mass378.16
IUPAC Name2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane
SMILESCOCCOCOC(C)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F
InChIInChI=1S/C16H24F6O3/c1-9-10(2)12-7-11(9)14(17,15(12,18)19)13(3,16(20,21)22)25-8-24-6-5-23-4/h9-12H,5-8H2,1-4H3
InChIKeyPQOUOYLPZVACIJ-UHFFFAOYSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.21
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-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane?
The IUPAC name of 2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane (CID 58205767) is 2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane is COCCOCOC(C)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F.
What is the InChIKey of 2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane?
The InChIKey is PQOUOYLPZVACIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6O3/c1-9-10(2)12-7-11(9)14(17,15(12,18)19)13(3,16(20,21)22)25-8-24-6-5-23-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane?
2,2,3-trifluoro-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane has a molecular weight of 378.35 g/mol, XLogP of 4.21, 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-5,6-dimethyl-3-[1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 58205767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).