5-(2,3-dihydroindol-1-yl)-2-fluoroaniline

C14H13FN2 — CID 21297666

IUPAC5-(2,3-dihydroindol-1-yl)-2-fluoroaniline
SMILESNc1cc(N2CCc3ccccc32)ccc1F
InChIInChI=1S/C14H13FN2/c15-12-6-5-11(9-13(12)16)17-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8,16H2
InChIKeyUCRXBATWWSVTAD-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.10
Rot. Bonds1

About 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline

5-(2,3-dihydroindol-1-yl)-2-fluoroaniline (PubChem CID 21297666) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-2-fluoroaniline
PubChem CID21297666
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name5-(2,3-dihydroindol-1-yl)-2-fluoroaniline
SMILESNc1cc(N2CCc3ccccc32)ccc1F
InChIInChI=1S/C14H13FN2/c15-12-6-5-11(9-13(12)16)17-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8,16H2
InChIKeyUCRXBATWWSVTAD-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.10
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 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline (CID 21297666) is 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline is Nc1cc(N2CCc3ccccc32)ccc1F.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline?
The InChIKey is UCRXBATWWSVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c15-12-6-5-11(9-13(12)16)17-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8,16H2.
What are the key properties of 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline?
5-(2,3-dihydroindol-1-yl)-2-fluoroaniline has a molecular weight of 228.27 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-2-fluoroaniline is sourced from PubChem (CID 21297666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).