4-fluoro-1H-indol-5-amine;hydrochloride

C8H8ClFN2 — CID 138393680

IUPAC4-fluoro-1H-indol-5-amine;hydrochloride
SMILESCl.Nc1ccc2[nH]ccc2c1F
InChIInChI=1S/C8H7FN2.ClH/c9-8-5-3-4-11-7(5)2-1-6(8)10;/h1-4,11H,10H2;1H
InChIKeyNFAZKZPBTPONAJ-UHFFFAOYSA-N
MW186.62 g/mol
LogP2.31
Rot. Bonds

About 4-fluoro-1H-indol-5-amine;hydrochloride

4-fluoro-1H-indol-5-amine;hydrochloride (PubChem CID 138393680) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is 4-fluoro-1H-indol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-1H-indol-5-amine;hydrochloride
PubChem CID138393680
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name4-fluoro-1H-indol-5-amine;hydrochloride
SMILESCl.Nc1ccc2[nH]ccc2c1F
InChIInChI=1S/C8H7FN2.ClH/c9-8-5-3-4-11-7(5)2-1-6(8)10;/h1-4,11H,10H2;1H
InChIKeyNFAZKZPBTPONAJ-UHFFFAOYSA-N
XLogP2.31
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-indol-5-amine;hydrochloride?
The IUPAC name of 4-fluoro-1H-indol-5-amine;hydrochloride (CID 138393680) is 4-fluoro-1H-indol-5-amine;hydrochloride.
What is the SMILES notation for 4-fluoro-1H-indol-5-amine;hydrochloride?
The canonical SMILES for 4-fluoro-1H-indol-5-amine;hydrochloride is Cl.Nc1ccc2[nH]ccc2c1F.
What is the InChIKey of 4-fluoro-1H-indol-5-amine;hydrochloride?
The InChIKey is NFAZKZPBTPONAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2.ClH/c9-8-5-3-4-11-7(5)2-1-6(8)10;/h1-4,11H,10H2;1H.
What are the key properties of 4-fluoro-1H-indol-5-amine;hydrochloride?
4-fluoro-1H-indol-5-amine;hydrochloride has a molecular weight of 186.62 g/mol, XLogP of 2.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-indol-5-amine;hydrochloride is sourced from PubChem (CID 138393680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).