2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium

C14H14FO2+ — CID 163801809

IUPAC2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium
SMILES[OH2+]CCOc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FO2/c15-13-5-1-11(2-6-13)12-3-7-14(8-4-12)17-10-9-16/h1-8,16H,9-10H2/p+1
InChIKeyNFQBKNKIVMXZQZ-UHFFFAOYSA-O
MW233.26 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium

2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium (PubChem CID 163801809) has the molecular formula C14H14FO2+ and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium
PubChem CID163801809
Molecular FormulaC14H14FO2+
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium
SMILES[OH2+]CCOc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FO2/c15-13-5-1-11(2-6-13)12-3-7-14(8-4-12)17-10-9-16/h1-8,16H,9-10H2/p+1
InChIKeyNFQBKNKIVMXZQZ-UHFFFAOYSA-O
XLogP2.60
TPSA32.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679
1-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethynyl]benzene
CID 67865457
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
3-(4-fluorophenoxy)propylazanium
CID 42036216
O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
CID 45158554
2-[3-[4-(4-fluorophenyl)phenoxy]propoxy]-1,3-dinitrobenzene
CID 22360131
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
N-chloro-2-(4-fluorophenoxy)ethanamine
CID 118373465
1-fluoro-4-[4-[6-[2-[6-[4-(trifluoromethoxy)phenoxy]hexoxy]phenoxy]hexoxy]phenyl]benzene
CID 102208232
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
1,2,3-trifluoro-5-[4-[9-[4-(3,4,5-trifluorophenyl)phenoxy]nonoxy]phenyl]benzene
CID 102036463

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium?
The IUPAC name of 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium (CID 163801809) is 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium.
What is the SMILES notation for 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium?
The canonical SMILES for 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium is [OH2+]CCOc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium?
The InChIKey is NFQBKNKIVMXZQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13FO2/c15-13-5-1-11(2-6-13)12-3-7-14(8-4-12)17-10-9-16/h1-8,16H,9-10H2/p+1.
What are the key properties of 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium?
2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium has a molecular weight of 233.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium is sourced from PubChem (CID 163801809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).