2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine

C10H11F3N2 — CID 43370138

IUPAC2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(CC(F)(F)F)C2
InChIInChI=1S/C10H11F3N2/c11-10(12,13)6-15-4-7-1-2-9(14)3-8(7)5-15/h1-3H,4-6,14H2
InChIKeyJESIGGUZBUVBCP-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.15
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine

2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine (PubChem CID 43370138) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine
PubChem CID43370138
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(CC(F)(F)F)C2
InChIInChI=1S/C10H11F3N2/c11-10(12,13)6-15-4-7-1-2-9(14)3-8(7)5-15/h1-3H,4-6,14H2
InChIKeyJESIGGUZBUVBCP-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine (CID 43370138) is 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(CC(F)(F)F)C2.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is JESIGGUZBUVBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)6-15-4-7-1-2-9(14)3-8(7)5-15/h1-3H,4-6,14H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine?
2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 216.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 43370138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).