2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol

C11H14F3NO2 — CID 83208192

IUPAC2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)17-5-4-15-6-8-2-1-3-10(16)9(8)7-15/h6-7,10,16H,1-5H2
InChIKeyMZKGXTVTRPAAAH-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.39
Rot. Bonds3

About 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol

2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83208192) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83208192
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)17-5-4-15-6-8-2-1-3-10(16)9(8)7-15/h6-7,10,16H,1-5H2
InChIKeyMZKGXTVTRPAAAH-UHFFFAOYSA-N
XLogP2.39
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol (CID 83208192) is 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol is OC1CCCc2cn(CCOC(F)(F)F)cc21.
What is the InChIKey of 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is MZKGXTVTRPAAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c12-11(13,14)17-5-4-15-6-8-2-1-3-10(16)9(8)7-15/h6-7,10,16H,1-5H2.
What are the key properties of 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol?
2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 249.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83208192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).