2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline

C14H12F2N2 — CID 113325091

IUPAC2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
SMILESNc1c(F)cc(F)cc1N1CCc2ccccc21
InChIInChI=1S/C14H12F2N2/c15-10-7-11(16)14(17)13(8-10)18-6-5-9-3-1-2-4-12(9)18/h1-4,7-8H,5-6,17H2
InChIKeyBHAKDOWQXCUVLA-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.24
Rot. Bonds1

About 2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline

2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline (PubChem CID 113325091) has the molecular formula C14H12F2N2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
PubChem CID113325091
Molecular FormulaC14H12F2N2
Molecular Weight246.26 g/mol
Exact Mass246.10
IUPAC Name2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
SMILESNc1c(F)cc(F)cc1N1CCc2ccccc21
InChIInChI=1S/C14H12F2N2/c15-10-7-11(16)14(17)13(8-10)18-6-5-9-3-1-2-4-12(9)18/h1-4,7-8H,5-6,17H2
InChIKeyBHAKDOWQXCUVLA-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.24
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-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline (CID 113325091) is 2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline is Nc1c(F)cc(F)cc1N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline?
The InChIKey is BHAKDOWQXCUVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2/c15-10-7-11(16)14(17)13(8-10)18-6-5-9-3-1-2-4-12(9)18/h1-4,7-8H,5-6,17H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline?
2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline has a molecular weight of 246.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline is sourced from PubChem (CID 113325091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).