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

C14H11F3N2 — CID 55118847

IUPAC2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1cc(F)cc(F)c1F)C2
InChIInChI=1S/C14H11F3N2/c15-10-4-12(16)14(17)13(5-10)19-6-8-1-2-11(18)3-9(8)7-19/h1-5H,6-7,18H2
InChIKeyAXQPSYRERHVYNC-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.21
Rot. Bonds1

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

2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine (PubChem CID 55118847) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine
PubChem CID55118847
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1cc(F)cc(F)c1F)C2
InChIInChI=1S/C14H11F3N2/c15-10-4-12(16)14(17)13(5-10)19-6-8-1-2-11(18)3-9(8)7-19/h1-5H,6-7,18H2
InChIKeyAXQPSYRERHVYNC-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine (CID 55118847) is 2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(c1cc(F)cc(F)c1F)C2.
What is the InChIKey of 2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is AXQPSYRERHVYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-10-4-12(16)14(17)13(5-10)19-6-8-1-2-11(18)3-9(8)7-19/h1-5H,6-7,18H2.
What are the key properties of 2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine?
2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 264.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 55118847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).