[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

C17H22ClFN2O2+2 — CID 8637736

IUPAC[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESFc1ccc(-c2ccc(C[NH2+]CC[NH+]3CCOCC3)o2)cc1Cl
InChIInChI=1S/C17H20ClFN2O2/c18-15-11-13(1-3-16(15)19)17-4-2-14(23-17)12-20-5-6-21-7-9-22-10-8-21/h1-4,11,20H,5-10,12H2/p+2
InChIKeyBSHGZCZFHIHOEM-UHFFFAOYSA-P
MW340.83 g/mol
LogP0.72
Rot. Bonds6

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

[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium (PubChem CID 8637736) has the molecular formula C17H22ClFN2O2+2 and a molecular weight of 340.83 g/mol. Its IUPAC name is [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium.

Molecular Properties

Compound Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
PubChem CID8637736
Molecular FormulaC17H22ClFN2O2+2
Molecular Weight340.83 g/mol
Exact Mass340.13
IUPAC Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESFc1ccc(-c2ccc(C[NH2+]CC[NH+]3CCOCC3)o2)cc1Cl
InChIInChI=1S/C17H20ClFN2O2/c18-15-11-13(1-3-16(15)19)17-4-2-14(23-17)12-20-5-6-21-7-9-22-10-8-21/h1-4,11,20H,5-10,12H2/p+2
InChIKeyBSHGZCZFHIHOEM-UHFFFAOYSA-P
XLogP0.72
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 50.72
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

[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 8622846
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7394284
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425272
2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425291
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7263979
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425278
[(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]-1-(oxolan-2-yl)methanamine
CID 4724559
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
CID 7425255
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]propanoic acid
CID 155486740
4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine
CID 142747429

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium (CID 8637736) is [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium.
What is the SMILES notation for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The canonical SMILES for [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium is Fc1ccc(-c2ccc(C[NH2+]CC[NH+]3CCOCC3)o2)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The InChIKey is BSHGZCZFHIHOEM-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H20ClFN2O2/c18-15-11-13(1-3-16(15)19)17-4-2-14(23-17)12-20-5-6-21-7-9-22-10-8-21/h1-4,11,20H,5-10,12H2/p+2.
What are the key properties of [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium has a molecular weight of 340.83 g/mol, XLogP of 0.72, 6 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-morpholin-4-ium-4-ylethyl)azanium is sourced from PubChem (CID 8637736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).