2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium

C19H18F2NO+ — CID 8622208

IUPAC2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
SMILESFc1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1
InChIInChI=1S/C19H17F2NO/c20-16-7-5-15(6-8-16)19-10-9-17(23-19)13-22-12-11-14-3-1-2-4-18(14)21/h1-10,22H,11-13H2/p+1
InChIKeyVLEOBMAKCMNOCS-UHFFFAOYSA-O
MW314.36 g/mol
LogP3.53
Rot. Bonds6

About 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium

2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium (PubChem CID 8622208) has the molecular formula C19H18F2NO+ and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
PubChem CID8622208
Molecular FormulaC19H18F2NO+
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
SMILESFc1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1
InChIInChI=1S/C19H17F2NO/c20-16-7-5-15(6-8-16)19-10-9-17(23-19)13-22-12-11-14-3-1-2-4-18(14)21/h1-10,22H,11-13H2/p+1
InChIKeyVLEOBMAKCMNOCS-UHFFFAOYSA-O
XLogP3.53
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
CID 8622181
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622197
[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8622226
benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
CID 8622876
(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622071
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425272
ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 7425125
2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425291
2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium
CID 2163765
(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 8638991
(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8621780

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium (CID 8622208) is 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium is Fc1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
The InChIKey is VLEOBMAKCMNOCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17F2NO/c20-16-7-5-15(6-8-16)19-10-9-17(23-19)13-22-12-11-14-3-1-2-4-18(14)21/h1-10,22H,11-13H2/p+1.
What are the key properties of 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium has a molecular weight of 314.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8622208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).