fluoromethyl-(3-methoxypropyl)-dimethylazanium

C7H17FNO+ — CID 176706226

IUPACfluoromethyl-(3-methoxypropyl)-dimethylazanium
SMILESCOCCC[N+](C)(C)CF
InChIInChI=1S/C7H17FNO/c1-9(2,7-8)5-4-6-10-3/h4-7H2,1-3H3/q+1
InChIKeyJNBIJXQSITWDQT-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.03
Rot. Bonds5

About fluoromethyl-(3-methoxypropyl)-dimethylazanium

fluoromethyl-(3-methoxypropyl)-dimethylazanium (PubChem CID 176706226) has the molecular formula C7H17FNO+ and a molecular weight of 150.22 g/mol. Its IUPAC name is fluoromethyl-(3-methoxypropyl)-dimethylazanium.

Molecular Properties

Compound Namefluoromethyl-(3-methoxypropyl)-dimethylazanium
PubChem CID176706226
Molecular FormulaC7H17FNO+
Molecular Weight150.22 g/mol
Exact Mass150.13
IUPAC Namefluoromethyl-(3-methoxypropyl)-dimethylazanium
SMILESCOCCC[N+](C)(C)CF
InChIInChI=1S/C7H17FNO/c1-9(2,7-8)5-4-6-10-3/h4-7H2,1-3H3/q+1
InChIKeyJNBIJXQSITWDQT-UHFFFAOYSA-N
XLogP1.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl-(3-methoxypropyl)-dimethylazanium?
The IUPAC name of fluoromethyl-(3-methoxypropyl)-dimethylazanium (CID 176706226) is fluoromethyl-(3-methoxypropyl)-dimethylazanium.
What is the SMILES notation for fluoromethyl-(3-methoxypropyl)-dimethylazanium?
The canonical SMILES for fluoromethyl-(3-methoxypropyl)-dimethylazanium is COCCC[N+](C)(C)CF.
What is the InChIKey of fluoromethyl-(3-methoxypropyl)-dimethylazanium?
The InChIKey is JNBIJXQSITWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FNO/c1-9(2,7-8)5-4-6-10-3/h4-7H2,1-3H3/q+1.
What are the key properties of fluoromethyl-(3-methoxypropyl)-dimethylazanium?
fluoromethyl-(3-methoxypropyl)-dimethylazanium has a molecular weight of 150.22 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-(3-methoxypropyl)-dimethylazanium is sourced from PubChem (CID 176706226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).