2-(5-fluoroindol-5-yl)-N-iodoethanamine

C10H10FIN2 — CID 175170507

IUPAC2-(5-fluoroindol-5-yl)-N-iodoethanamine
SMILESFC1(CCNI)C=CC2=NC=CC2=C1
InChIInChI=1S/C10H10FIN2/c11-10(4-6-14-12)3-1-9-8(7-10)2-5-13-9/h1-3,5,7,14H,4,6H2
InChIKeyLEHFPLQISXKEKV-UHFFFAOYSA-N
MW304.11 g/mol
LogP2.49
Rot. Bonds3

About 2-(5-fluoroindol-5-yl)-N-iodoethanamine

2-(5-fluoroindol-5-yl)-N-iodoethanamine (PubChem CID 175170507) has the molecular formula C10H10FIN2 and a molecular weight of 304.11 g/mol. Its IUPAC name is 2-(5-fluoroindol-5-yl)-N-iodoethanamine.

Molecular Properties

Compound Name2-(5-fluoroindol-5-yl)-N-iodoethanamine
PubChem CID175170507
Molecular FormulaC10H10FIN2
Molecular Weight304.11 g/mol
Exact Mass303.99
IUPAC Name2-(5-fluoroindol-5-yl)-N-iodoethanamine
SMILESFC1(CCNI)C=CC2=NC=CC2=C1
InChIInChI=1S/C10H10FIN2/c11-10(4-6-14-12)3-1-9-8(7-10)2-5-13-9/h1-3,5,7,14H,4,6H2
InChIKeyLEHFPLQISXKEKV-UHFFFAOYSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroindol-5-yl)-N-iodoethanamine?
The IUPAC name of 2-(5-fluoroindol-5-yl)-N-iodoethanamine (CID 175170507) is 2-(5-fluoroindol-5-yl)-N-iodoethanamine.
What is the SMILES notation for 2-(5-fluoroindol-5-yl)-N-iodoethanamine?
The canonical SMILES for 2-(5-fluoroindol-5-yl)-N-iodoethanamine is FC1(CCNI)C=CC2=NC=CC2=C1.
What is the InChIKey of 2-(5-fluoroindol-5-yl)-N-iodoethanamine?
The InChIKey is LEHFPLQISXKEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIN2/c11-10(4-6-14-12)3-1-9-8(7-10)2-5-13-9/h1-3,5,7,14H,4,6H2.
What are the key properties of 2-(5-fluoroindol-5-yl)-N-iodoethanamine?
2-(5-fluoroindol-5-yl)-N-iodoethanamine has a molecular weight of 304.11 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroindol-5-yl)-N-iodoethanamine is sourced from PubChem (CID 175170507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).