[1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium

C14H15FNO+ — CID 177415269

IUPAC[1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium
SMILES[O+]#Cc1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C14H15FNO/c15-8-4-1-5-9-16-10-12(11-17)13-6-2-3-7-14(13)16/h2-3,6-7,10H,1,4-5,8-9H2/q+1
InChIKeyHQNARPVYPWJSOJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.52
Rot. Bonds5

About [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium

[1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium (PubChem CID 177415269) has the molecular formula C14H15FNO+ and a molecular weight of 232.28 g/mol. Its IUPAC name is [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium.

Molecular Properties

Compound Name[1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium
PubChem CID177415269
Molecular FormulaC14H15FNO+
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name[1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium
SMILES[O+]#Cc1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C14H15FNO/c15-8-4-1-5-9-16-10-12(11-17)13-6-2-3-7-14(13)16/h2-3,6-7,10H,1,4-5,8-9H2/q+1
InChIKeyHQNARPVYPWJSOJ-UHFFFAOYSA-N
XLogP3.52
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobutyl)indole-3-carbonitrile
CID 10331529
6-(3-cyanoindol-1-yl)hexanoic acid
CID 71567711
(2S)-2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-methylbutanoic acid
CID 155791758
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
CID 66410117
methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-methylbutanoate
CID 131668062
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-ethenyl-1-hexylindole
CID 141093384
[1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone
CID 91744220
3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole
CID 132537089
3-(3-phenylindol-1-yl)propan-1-amine
CID 15134122
1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile
CID 69072549
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium?
The IUPAC name of [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium (CID 177415269) is [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium.
What is the SMILES notation for [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium?
The canonical SMILES for [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium is [O+]#Cc1cn(CCCCCF)c2ccccc12.
What is the InChIKey of [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium?
The InChIKey is HQNARPVYPWJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FNO/c15-8-4-1-5-9-16-10-12(11-17)13-6-2-3-7-14(13)16/h2-3,6-7,10H,1,4-5,8-9H2/q+1.
What are the key properties of [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium?
[1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium has a molecular weight of 232.28 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium is sourced from PubChem (CID 177415269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).