[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium

C13H14ClFNO2+ — CID 7425272

IUPAC[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
SMILESOCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C13H13ClFNO2/c14-11-7-9(1-3-12(11)15)13-4-2-10(18-13)8-16-5-6-17/h1-4,7,16-17H,5-6,8H2/p+1
InChIKeyZFGINNIXHCJNDY-UHFFFAOYSA-O
MW270.71 g/mol
LogP1.79
Rot. Bonds5

About [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium

[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium (PubChem CID 7425272) has the molecular formula C13H14ClFNO2+ and a molecular weight of 270.71 g/mol. Its IUPAC name is [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
PubChem CID7425272
Molecular FormulaC13H14ClFNO2+
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
SMILESOCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C13H13ClFNO2/c14-11-7-9(1-3-12(11)15)13-4-2-10(18-13)8-16-5-6-17/h1-4,7,16-17H,5-6,8H2/p+1
InChIKeyZFGINNIXHCJNDY-UHFFFAOYSA-O
XLogP1.79
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425291
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425278
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 8637736
3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]propanoic acid
CID 155486740
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
CID 7425255
[(1R)-1-(1-adamantyl)ethyl]-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8637590
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylamino]acetonitrile
CID 4724597
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17333094
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17333127

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium?
The IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium (CID 7425272) is [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium?
The canonical SMILES for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium is OCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium?
The InChIKey is ZFGINNIXHCJNDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13ClFNO2/c14-11-7-9(1-3-12(11)15)13-4-2-10(18-13)8-16-5-6-17/h1-4,7,16-17H,5-6,8H2/p+1.
What are the key properties of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium?
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium has a molecular weight of 270.71 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 7425272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).