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

C13H15FNO+ — CID 7425125

IUPACethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
SMILESCC[NH2+]Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H14FNO/c1-2-15-9-10-7-8-13(16-10)11-5-3-4-6-12(11)14/h3-8,15H,2,9H2,1H3/p+1
InChIKeyWEDAANYVHHWIGX-UHFFFAOYSA-O
MW220.27 g/mol
LogP2.17
Rot. Bonds4

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

ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium (PubChem CID 7425125) has the molecular formula C13H15FNO+ and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Nameethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
PubChem CID7425125
Molecular FormulaC13H15FNO+
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
SMILESCC[NH2+]Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H14FNO/c1-2-15-9-10-7-8-13(16-10)11-5-3-4-6-12(11)14/h3-8,15H,2,9H2,1H3/p+1
InChIKeyWEDAANYVHHWIGX-UHFFFAOYSA-O
XLogP2.17
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622071
2-[5-(2-fluorophenyl)furan-2-yl]ethanamine
CID 54775832
1-[5-(2-fluorophenyl)furan-2-yl]propan-2-ol
CID 63085835
[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 7447687
[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248404
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17331952
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
CID 4726884
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
N',N'-dibutyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214750
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
CID 17206989
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811

Frequently Asked Questions

What is the IUPAC name of ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium (CID 7425125) is ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium is CC[NH2+]Cc1ccc(-c2ccccc2F)o1.
What is the InChIKey of ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
The InChIKey is WEDAANYVHHWIGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H14FNO/c1-2-15-9-10-7-8-13(16-10)11-5-3-4-6-12(11)14/h3-8,15H,2,9H2,1H3/p+1.
What are the key properties of ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium?
ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium has a molecular weight of 220.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 7425125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).