4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C11H16F3NO2 — CID 114247678

IUPAC4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(CCOC(F)(F)F)C1C3C2
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)17-2-1-15-5-7-3-6-4-8(7)9(15)10(6)16/h6-10,16H,1-5H2
InChIKeyIDFONRNSLIZHIJ-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.22
Rot. Bonds3

About 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 114247678) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID114247678
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(CCOC(F)(F)F)C1C3C2
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)17-2-1-15-5-7-3-6-4-8(7)9(15)10(6)16/h6-10,16H,1-5H2
InChIKeyIDFONRNSLIZHIJ-UHFFFAOYSA-N
XLogP1.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 114247678) is 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is OC1C2CC3CN(CCOC(F)(F)F)C1C3C2.
What is the InChIKey of 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is IDFONRNSLIZHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)17-2-1-15-5-7-3-6-4-8(7)9(15)10(6)16/h6-10,16H,1-5H2.
What are the key properties of 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 251.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxy)ethyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 114247678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).