2-(fluoromethoxy)isoquinolin-2-ium

C10H9FNO+ — CID 139739099

IUPAC2-(fluoromethoxy)isoquinolin-2-ium
SMILESFCO[n+]1ccc2ccccc2c1
InChIInChI=1S/C10H9FNO/c11-8-13-12-6-5-9-3-1-2-4-10(9)7-12/h1-7H,8H2/q+1
InChIKeyUCKWAOSWPRGWFM-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.48
Rot. Bonds2

About 2-(fluoromethoxy)isoquinolin-2-ium

2-(fluoromethoxy)isoquinolin-2-ium (PubChem CID 139739099) has the molecular formula C10H9FNO+ and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(fluoromethoxy)isoquinolin-2-ium.

Molecular Properties

Compound Name2-(fluoromethoxy)isoquinolin-2-ium
PubChem CID139739099
Molecular FormulaC10H9FNO+
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(fluoromethoxy)isoquinolin-2-ium
SMILESFCO[n+]1ccc2ccccc2c1
InChIInChI=1S/C10H9FNO/c11-8-13-12-6-5-9-3-1-2-4-10(9)7-12/h1-7H,8H2/q+1
InChIKeyUCKWAOSWPRGWFM-UHFFFAOYSA-N
XLogP1.48
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-butoxyisoquinolin-2-ium
CID 139739661
2-azulen-2-yloxyisoquinolin-2-ium
CID 139739000
2-(4-methylphenoxy)isoquinolin-2-ium
CID 139740568
2-phenoxyisoquinolin-2-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139739261
2-(2-fluorophenoxy)isoquinolin-2-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139740397
3-hexoxybenzo[f]isoquinolin-3-ium
CID 58571678
10-isoquinolin-2-ium-2-yloxyanthracene-9-carbonitrile
CID 139738939
2-(4-bromophenoxy)isoquinolin-2-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139740184
naphthalene
CID 10240860
naphthalene
CID 21288458
2-(40-isoquinolin-2-ium-2-yltetracontyl)isoquinolin-2-ium
CID 24839820
2-ethylisoquinolin-2-ium;hydroiodide
CID 126960238

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)isoquinolin-2-ium?
The IUPAC name of 2-(fluoromethoxy)isoquinolin-2-ium (CID 139739099) is 2-(fluoromethoxy)isoquinolin-2-ium.
What is the SMILES notation for 2-(fluoromethoxy)isoquinolin-2-ium?
The canonical SMILES for 2-(fluoromethoxy)isoquinolin-2-ium is FCO[n+]1ccc2ccccc2c1.
What is the InChIKey of 2-(fluoromethoxy)isoquinolin-2-ium?
The InChIKey is UCKWAOSWPRGWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FNO/c11-8-13-12-6-5-9-3-1-2-4-10(9)7-12/h1-7H,8H2/q+1.
What are the key properties of 2-(fluoromethoxy)isoquinolin-2-ium?
2-(fluoromethoxy)isoquinolin-2-ium has a molecular weight of 178.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)isoquinolin-2-ium is sourced from PubChem (CID 139739099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).