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

C11H15F3N2O — CID 83212889

IUPAC2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)17-5-4-16-6-8-2-1-3-10(15)9(8)7-16/h6-7,10H,1-5,15H2
InChIKeyALXHJVVHFVSEIC-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.36
Rot. Bonds3

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

2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83212889) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83212889
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)17-5-4-16-6-8-2-1-3-10(15)9(8)7-16/h6-7,10H,1-5,15H2
InChIKeyALXHJVVHFVSEIC-UHFFFAOYSA-N
XLogP2.36
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.36
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-amine?
The IUPAC name of 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 83212889) is 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine is NC1CCCc2cn(CCOC(F)(F)F)cc21.
What is the InChIKey of 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is ALXHJVVHFVSEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)17-5-4-16-6-8-2-1-3-10(15)9(8)7-16/h6-7,10H,1-5,15H2.
What are the key properties of 2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine?
2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 248.25 g/mol, XLogP of 2.36, 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-amine is sourced from PubChem (CID 83212889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).