2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate

C7H14F3NO3 — CID 87574015

IUPAC2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate
SMILESC[N+](C)(C)CCO.O=C([O-])C(F)(F)F
InChIInChI=1S/C5H14NO.C2HF3O2/c1-6(2,3)4-5-7;3-2(4,5)1(6)7/h7H,4-5H2,1-3H3;(H,6,7)/q+1;/p-1
InChIKeyMYQDOPVTBGZFLX-UHFFFAOYSA-M
MW217.19 g/mol
LogP-1.02
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate

2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate (PubChem CID 87574015) has the molecular formula C7H14F3NO3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate
PubChem CID87574015
Molecular FormulaC7H14F3NO3
Molecular Weight217.19 g/mol
Exact Mass217.09
IUPAC Name2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate
SMILESC[N+](C)(C)CCO.O=C([O-])C(F)(F)F
InChIInChI=1S/C5H14NO.C2HF3O2/c1-6(2,3)4-5-7;3-2(4,5)1(6)7/h7H,4-5H2,1-3H3;(H,6,7)/q+1;/p-1
InChIKeyMYQDOPVTBGZFLX-UHFFFAOYSA-M
XLogP-1.02
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cholin acetate
CID 11643980
2-(Methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
2-(Dimethylamino)ethanol;2,2,2-trifluoroacetic acid
CID 11687094
Carboxymethyl-dimethyl-(trifluoromethyl)azanium
CID 57051462
Bis(2-hydroxyethyl)-dimethylazanium;2,2,2-trifluoroacetate
CID 57483586
2-(Dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 86075914
Bis(1-hydroxyethyl)-dimethylazanium;2,2,2-trifluoroacetate
CID 87466646
N,N-diethylethanamine;ethanol;2,2,2-trifluoroacetic acid
CID 88006697
Ethyl 2,2,2-trifluoroacetate;2-hydroxyethyl(trimethyl)azanium;chloride
CID 90374751
Butyl-(2-hydroxyethyl)-dimethylazanium;2,2,2-trifluoroacetate
CID 118062826
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
2,2,2-Trifluoroacetate;tris(2-hydroxyethyl)-methylazanium
CID 140574404

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate (CID 87574015) is 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate is C[N+](C)(C)CCO.O=C([O-])C(F)(F)F.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate?
The InChIKey is MYQDOPVTBGZFLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.C2HF3O2/c1-6(2,3)4-5-7;3-2(4,5)1(6)7/h7H,4-5H2,1-3H3;(H,6,7)/q+1;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate?
2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate has a molecular weight of 217.19 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 87574015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).