2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium

C15H16F2N+ — CID 7320387

IUPAC2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium
SMILESFc1ccc(CC[NH2+]Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15F2N/c16-14-5-1-12(2-6-14)9-10-18-11-13-3-7-15(17)8-4-13/h1-8,18H,9-11H2/p+1
InChIKeyAZLFOVASGBMLOJ-UHFFFAOYSA-O
MW248.30 g/mol
LogP2.27
Rot. Bonds5

About 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium

2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 7320387) has the molecular formula C15H16F2N+ and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium
PubChem CID7320387
Molecular FormulaC15H16F2N+
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium
SMILESFc1ccc(CC[NH2+]Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15F2N/c16-14-5-1-12(2-6-14)9-10-18-11-13-3-7-15(17)8-4-13/h1-8,18H,9-11H2/p+1
InChIKeyAZLFOVASGBMLOJ-UHFFFAOYSA-O
XLogP2.27
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)methyl-[2-(4-fluorophenyl)ethyl]azanium
CID 8898278
(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
CID 2163692
[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
CID 8622181
3-ethoxypropyl-[(4-fluorophenyl)methyl]azanium
CID 5194706
1-fluoro-4-propylbenzene
CID 2737505
tert-butyl-[(4-fluorophenyl)methyl]azanium
CID 4921933
2-(4-fluorophenyl)ethylazanium iodide
CID 155288874
lithium 2-(4-fluorophenyl)ethanolate
CID 101196561
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
CID 7714694
1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene
CID 66577934
6-(4-fluorophenyl)hexan-1-amine
CID 18470415

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium (CID 7320387) is 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium is Fc1ccc(CC[NH2+]Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is AZLFOVASGBMLOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15F2N/c16-14-5-1-12(2-6-14)9-10-18-11-13-3-7-15(17)8-4-13/h1-8,18H,9-11H2/p+1.
What are the key properties of 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium?
2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 248.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 7320387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).