2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid

C7H14F3NO3 — CID 23087526

IUPAC2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid
SMILESCCOCCNC.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13NO.C2HF3O2/c1-3-7-5-4-6-2;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3;(H,6,7)
InChIKeyQQVJXBQOLFMCSW-UHFFFAOYSA-N
MW217.19 g/mol
LogP0.88
Rot. Bonds4

About 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid

2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 23087526) has the molecular formula C7H14F3NO3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid
PubChem CID23087526
Molecular FormulaC7H14F3NO3
Molecular Weight217.19 g/mol
Exact Mass217.09
IUPAC Name2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid
SMILESCCOCCNC.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13NO.C2HF3O2/c1-3-7-5-4-6-2;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3;(H,6,7)
InChIKeyQQVJXBQOLFMCSW-UHFFFAOYSA-N
XLogP0.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596014
N-methylmorpholinium trifluoroacetate
CID 67341476
2-(Methylamino)ethyl acetate
CID 11528378
2-(Methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
Ethanol, 2-((2-(acetyloxy)ethyl)amino)-
CID 170749
2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid
CID 22623606
2-Methoxyethylammonium trifluoroacetate
CID 22623616
Morpholine, trifluoroacetate
CID 46242206
Ethyl 2-(difluoromethylamino)acetate
CID 57810457
Glycine, N-(2,2-difluoroethyl)-, ethyl ester
CID 60921893
2-[2-(2,2,2-Trifluoroethoxy)ethylamino]acetic acid
CID 61490459
2-[2-(Trifluoromethoxy)ethylamino]acetic acid
CID 65805668

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid (CID 23087526) is 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid is CCOCCNC.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is QQVJXBQOLFMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C2HF3O2/c1-3-7-5-4-6-2;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3;(H,6,7).
What are the key properties of 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid?
2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 217.19 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23087526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).