2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid

C6H12F3NO3 — CID 11687094

IUPAC2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid
SMILESCN(C)CCO.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11NO.C2HF3O2/c1-5(2)3-4-6;3-2(4,5)1(6)7/h6H,3-4H2,1-2H3;(H,6,7)
InChIKeyFGFLCPWJWUGQNL-UHFFFAOYSA-N
MW203.16 g/mol
LogP0.17
Rot. Bonds2

About 2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid

2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid (PubChem CID 11687094) has the molecular formula C6H12F3NO3 and a molecular weight of 203.16 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid
PubChem CID11687094
Molecular FormulaC6H12F3NO3
Molecular Weight203.16 g/mol
Exact Mass203.08
IUPAC Name2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid
SMILESCN(C)CCO.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11NO.C2HF3O2/c1-5(2)3-4-6;3-2(4,5)1(6)7/h6H,3-4H2,1-2H3;(H,6,7)
InChIKeyFGFLCPWJWUGQNL-UHFFFAOYSA-N
XLogP0.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cholin acetate
CID 11643980
Choline trifluoroacetate
CID 87574015
2-(Methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
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-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid (CID 11687094) is 2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid is CN(C)CCO.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is FGFLCPWJWUGQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2HF3O2/c1-5(2)3-4-6;3-2(4,5)1(6)7/h6H,3-4H2,1-2H3;(H,6,7).
What are the key properties of 2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid?
2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 203.16 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11687094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).