butyl-[4-(4-fluorophenoxy)butyl]azanium

C14H23FNO+ — CID 2249066

IUPACbutyl-[4-(4-fluorophenoxy)butyl]azanium
SMILESCCCC[NH2+]CCCCOc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-2-3-10-16-11-4-5-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3/p+1
InChIKeyJTOBUFBJSBVNAF-UHFFFAOYSA-O
MW240.34 g/mol
LogP2.35
Rot. Bonds9

About butyl-[4-(4-fluorophenoxy)butyl]azanium

butyl-[4-(4-fluorophenoxy)butyl]azanium (PubChem CID 2249066) has the molecular formula C14H23FNO+ and a molecular weight of 240.34 g/mol. Its IUPAC name is butyl-[4-(4-fluorophenoxy)butyl]azanium.

Molecular Properties

Compound Namebutyl-[4-(4-fluorophenoxy)butyl]azanium
PubChem CID2249066
Molecular FormulaC14H23FNO+
Molecular Weight240.34 g/mol
Exact Mass240.18
IUPAC Namebutyl-[4-(4-fluorophenoxy)butyl]azanium
SMILESCCCC[NH2+]CCCCOc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-2-3-10-16-11-4-5-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3/p+1
InChIKeyJTOBUFBJSBVNAF-UHFFFAOYSA-O
XLogP2.35
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.35
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

butyl-[6-(4-methylphenoxy)hexyl]azanium
CID 2248796
6-(4-bromophenoxy)hexyl-butylazanium
CID 2249695
butyl-[5-(4-tert-butylphenoxy)pentyl]azanium
CID 2248472
butyl-[[4-[10-[4-[(butylazaniumyl)methyl]phenoxy]decoxy]phenyl]methyl]azanium
CID 102584674
butyl-[6-(2-fluorophenoxy)hexyl]azanium
CID 2251024
1,4-dipentoxybenzene
CID 18314717
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723
2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium
CID 2581897
3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium
CID 2298384
didodecylazanium;tetrakis(4-fluorophenyl)boranuide
CID 139833691
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789

Frequently Asked Questions

What is the IUPAC name of butyl-[4-(4-fluorophenoxy)butyl]azanium?
The IUPAC name of butyl-[4-(4-fluorophenoxy)butyl]azanium (CID 2249066) is butyl-[4-(4-fluorophenoxy)butyl]azanium.
What is the SMILES notation for butyl-[4-(4-fluorophenoxy)butyl]azanium?
The canonical SMILES for butyl-[4-(4-fluorophenoxy)butyl]azanium is CCCC[NH2+]CCCCOc1ccc(F)cc1.
What is the InChIKey of butyl-[4-(4-fluorophenoxy)butyl]azanium?
The InChIKey is JTOBUFBJSBVNAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22FNO/c1-2-3-10-16-11-4-5-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3/p+1.
What are the key properties of butyl-[4-(4-fluorophenoxy)butyl]azanium?
butyl-[4-(4-fluorophenoxy)butyl]azanium has a molecular weight of 240.34 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[4-(4-fluorophenoxy)butyl]azanium is sourced from PubChem (CID 2249066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).