2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium

C10H19F3NO2+ — CID 19005113

IUPAC2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium
SMILESCOCC[N+](C)(C)CCCC(=O)C(F)(F)F
InChIInChI=1S/C10H19F3NO2/c1-14(2,7-8-16-3)6-4-5-9(15)10(11,12)13/h4-8H2,1-3H3/q+1
InChIKeyAGHPLUSUGXFPFZ-UHFFFAOYSA-N
MW242.26 g/mol
LogP1.62
Rot. Bonds7

About 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium

2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium (PubChem CID 19005113) has the molecular formula C10H19F3NO2+ and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium.

Molecular Properties

Compound Name2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium
PubChem CID19005113
Molecular FormulaC10H19F3NO2+
Molecular Weight242.26 g/mol
Exact Mass242.14
IUPAC Name2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium
SMILESCOCC[N+](C)(C)CCCC(=O)C(F)(F)F
InChIInChI=1S/C10H19F3NO2/c1-14(2,7-8-16-3)6-4-5-9(15)10(11,12)13/h4-8H2,1-3H3/q+1
InChIKeyAGHPLUSUGXFPFZ-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium?
The IUPAC name of 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium (CID 19005113) is 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium.
What is the SMILES notation for 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium?
The canonical SMILES for 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium is COCC[N+](C)(C)CCCC(=O)C(F)(F)F.
What is the InChIKey of 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium?
The InChIKey is AGHPLUSUGXFPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3NO2/c1-14(2,7-8-16-3)6-4-5-9(15)10(11,12)13/h4-8H2,1-3H3/q+1.
What are the key properties of 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium?
2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium has a molecular weight of 242.26 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium is sourced from PubChem (CID 19005113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).