2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine

C14H10F4N2 — CID 107645773

IUPAC2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1c(F)c(F)cc(F)c1F)C2
InChIInChI=1S/C14H10F4N2/c15-9-4-10(16)13(18)14(12(9)17)20-5-7-2-1-3-11(19)8(7)6-20/h1-4H,5-6,19H2
InChIKeyWHRXQCPFICSTTF-UHFFFAOYSA-N
MW282.24 g/mol
LogP3.35
Rot. Bonds1

About 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine

2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine (PubChem CID 107645773) has the molecular formula C14H10F4N2 and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine
PubChem CID107645773
Molecular FormulaC14H10F4N2
Molecular Weight282.24 g/mol
Exact Mass282.08
IUPAC Name2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1c(F)c(F)cc(F)c1F)C2
InChIInChI=1S/C14H10F4N2/c15-9-4-10(16)13(18)14(12(9)17)20-5-7-2-1-3-11(19)8(7)6-20/h1-4H,5-6,19H2
InChIKeyWHRXQCPFICSTTF-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 53.35
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'}

Analyze 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine (CID 107645773) is 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1c(F)c(F)cc(F)c1F)C2.
What is the InChIKey of 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is WHRXQCPFICSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2/c15-9-4-10(16)13(18)14(12(9)17)20-5-7-2-1-3-11(19)8(7)6-20/h1-4H,5-6,19H2.
What are the key properties of 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine?
2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 282.24 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 107645773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).