2-(4-fluorophenyl)ethylazanium iodide

C8H11FIN — CID 155288874

IUPAC2-(4-fluorophenyl)ethylazanium iodide
SMILES[I-].[NH3+]CCc1ccc(F)cc1
InChIInChI=1S/C8H10FN.HI/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKeyNOHLSFNWSBZSBW-UHFFFAOYSA-N
MW267.08 g/mol
LogP-2.39
Rot. Bonds2

About 2-(4-fluorophenyl)ethylazanium iodide

2-(4-fluorophenyl)ethylazanium iodide (PubChem CID 155288874) has the molecular formula C8H11FIN and a molecular weight of 267.08 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethylazanium iodide.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethylazanium iodide
PubChem CID155288874
Molecular FormulaC8H11FIN
Molecular Weight267.08 g/mol
Exact Mass266.99
IUPAC Name2-(4-fluorophenyl)ethylazanium iodide
SMILES[I-].[NH3+]CCc1ccc(F)cc1
InChIInChI=1S/C8H10FN.HI/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKeyNOHLSFNWSBZSBW-UHFFFAOYSA-N
XLogP-2.39
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 5-2.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-propylbenzene
CID 2737505
[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium
CID 7449312
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
lithium 2-(4-fluorophenyl)ethanolate
CID 101196561
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene
CID 66577934
2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium
CID 7320387
(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
CID 42077676
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
1-(5-chloropentyl)-4-fluorobenzene
CID 57030730

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethylazanium iodide?
The IUPAC name of 2-(4-fluorophenyl)ethylazanium iodide (CID 155288874) is 2-(4-fluorophenyl)ethylazanium iodide.
What is the SMILES notation for 2-(4-fluorophenyl)ethylazanium iodide?
The canonical SMILES for 2-(4-fluorophenyl)ethylazanium iodide is [I-].[NH3+]CCc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)ethylazanium iodide?
The InChIKey is NOHLSFNWSBZSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN.HI/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-(4-fluorophenyl)ethylazanium iodide?
2-(4-fluorophenyl)ethylazanium iodide has a molecular weight of 267.08 g/mol, XLogP of -2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethylazanium iodide is sourced from PubChem (CID 155288874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).