butyl-[6-(2-fluorophenoxy)hexyl]azanium

C16H27FNO+ — CID 2251024

IUPACbutyl-[6-(2-fluorophenoxy)hexyl]azanium
SMILESCCCC[NH2+]CCCCCCOc1ccccc1F
InChIInChI=1S/C16H26FNO/c1-2-3-12-18-13-8-4-5-9-14-19-16-11-7-6-10-15(16)17/h6-7,10-11,18H,2-5,8-9,12-14H2,1H3/p+1
InChIKeyNINXDALQXUETRQ-UHFFFAOYSA-O
MW268.40 g/mol
LogP3.13
Rot. Bonds11

About butyl-[6-(2-fluorophenoxy)hexyl]azanium

butyl-[6-(2-fluorophenoxy)hexyl]azanium (PubChem CID 2251024) has the molecular formula C16H27FNO+ and a molecular weight of 268.40 g/mol. Its IUPAC name is butyl-[6-(2-fluorophenoxy)hexyl]azanium.

Molecular Properties

Compound Namebutyl-[6-(2-fluorophenoxy)hexyl]azanium
PubChem CID2251024
Molecular FormulaC16H27FNO+
Molecular Weight268.40 g/mol
Exact Mass268.21
IUPAC Namebutyl-[6-(2-fluorophenoxy)hexyl]azanium
SMILESCCCC[NH2+]CCCCCCOc1ccccc1F
InChIInChI=1S/C16H26FNO/c1-2-3-12-18-13-8-4-5-9-14-19-16-11-7-6-10-15(16)17/h6-7,10-11,18H,2-5,8-9,12-14H2,1H3/p+1
InChIKeyNINXDALQXUETRQ-UHFFFAOYSA-O
XLogP3.13
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.13
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-[4-(4-fluorophenoxy)butyl]azanium
CID 2249066
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
1-dodecoxy-2,3-difluorobenzene
CID 15854521
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
4-(2-fluorophenoxy)-N-propylbutan-1-amine
CID 62452469
2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane
CID 87497390
butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium
CID 2247783
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
butyl-[4-(2,5-dichlorophenoxy)butyl]azanium
CID 2261994
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
1,4-difluoro-2-hexoxybenzene
CID 23437312

Frequently Asked Questions

What is the IUPAC name of butyl-[6-(2-fluorophenoxy)hexyl]azanium?
The IUPAC name of butyl-[6-(2-fluorophenoxy)hexyl]azanium (CID 2251024) is butyl-[6-(2-fluorophenoxy)hexyl]azanium.
What is the SMILES notation for butyl-[6-(2-fluorophenoxy)hexyl]azanium?
The canonical SMILES for butyl-[6-(2-fluorophenoxy)hexyl]azanium is CCCC[NH2+]CCCCCCOc1ccccc1F.
What is the InChIKey of butyl-[6-(2-fluorophenoxy)hexyl]azanium?
The InChIKey is NINXDALQXUETRQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H26FNO/c1-2-3-12-18-13-8-4-5-9-14-19-16-11-7-6-10-15(16)17/h6-7,10-11,18H,2-5,8-9,12-14H2,1H3/p+1.
What are the key properties of butyl-[6-(2-fluorophenoxy)hexyl]azanium?
butyl-[6-(2-fluorophenoxy)hexyl]azanium has a molecular weight of 268.40 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[6-(2-fluorophenoxy)hexyl]azanium is sourced from PubChem (CID 2251024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).