2-(trifluoromethoxy)ethylazanium

C3H7F3NO+ — CID 23236943

IUPAC2-(trifluoromethoxy)ethylazanium
SMILES[NH3+]CCOC(F)(F)F
InChIInChI=1S/C3H6F3NO/c4-3(5,6)8-2-1-7/h1-2,7H2/p+1
InChIKeyIJAQSERNJJEFFD-UHFFFAOYSA-O
MW130.09 g/mol
LogP-0.24
Rot. Bonds2

About 2-(trifluoromethoxy)ethylazanium

2-(trifluoromethoxy)ethylazanium (PubChem CID 23236943) has the molecular formula C3H7F3NO+ and a molecular weight of 130.09 g/mol. Its IUPAC name is 2-(trifluoromethoxy)ethylazanium.

Molecular Properties

Compound Name2-(trifluoromethoxy)ethylazanium
PubChem CID23236943
Molecular FormulaC3H7F3NO+
Molecular Weight130.09 g/mol
Exact Mass130.05
IUPAC Name2-(trifluoromethoxy)ethylazanium
SMILES[NH3+]CCOC(F)(F)F
InChIInChI=1S/C3H6F3NO/c4-3(5,6)8-2-1-7/h1-2,7H2/p+1
InChIKeyIJAQSERNJJEFFD-UHFFFAOYSA-O
XLogP-0.24
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.09
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)ethylazanium?
The IUPAC name of 2-(trifluoromethoxy)ethylazanium (CID 23236943) is 2-(trifluoromethoxy)ethylazanium.
What is the SMILES notation for 2-(trifluoromethoxy)ethylazanium?
The canonical SMILES for 2-(trifluoromethoxy)ethylazanium is [NH3+]CCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)ethylazanium?
The InChIKey is IJAQSERNJJEFFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6F3NO/c4-3(5,6)8-2-1-7/h1-2,7H2/p+1.
What are the key properties of 2-(trifluoromethoxy)ethylazanium?
2-(trifluoromethoxy)ethylazanium has a molecular weight of 130.09 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)ethylazanium is sourced from PubChem (CID 23236943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).