1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid

C7H14F3NO3 — CID 86631164

IUPAC1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCCOCC(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13NO.C2HF3O2/c1-3-7-4-5(2)6;3-2(4,5)1(6)7/h5H,3-4,6H2,1-2H3;(H,6,7)
InChIKeyUNGMTEVXGNECFH-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.00
Rot. Bonds3

About 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid

1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 86631164) has the molecular formula C7H14F3NO3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID86631164
Molecular FormulaC7H14F3NO3
Molecular Weight217.19 g/mol
Exact Mass217.09
IUPAC Name1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCCOCC(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13NO.C2HF3O2/c1-3-7-4-5(2)6;3-2(4,5)1(6)7/h5H,3-4,6H2,1-2H3;(H,6,7)
InChIKeyUNGMTEVXGNECFH-UHFFFAOYSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-ethoxypropane-1-thiol;2,2,2-trifluoroacetic acid
CID 145948492
Ethyl 2-amino-3,3,3-trifluoropropanoate
CID 10910004
2-Amino-3,3,3-Trifluoro-Propionic Acid Ethyl Ester Hydrochloride
CID 45790935
Ethyl 2-amino-4,4,4-trifluorobutanoate
CID 23635342
Ethyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 12484434
2,2,2-trifluoroethyl (2S)-2-aminopropanoate
CID 15864118
[(2R)-2-amino-3-[(2R)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate
CID 21309589
[(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate
CID 21309592
2-Methoxyethylammonium trifluoroacetate
CID 22623616
ethyl (2R)-2-amino-3-fluoropropanoate
CID 22839412
Alanine, 3,3,3-trifluoro-, ethyl ester, hydrochloride
CID 44466424
propyl (2S)-2-amino-3-fluoropropanoate
CID 54230614

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid (CID 86631164) is 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid is CCOCC(C)N.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is UNGMTEVXGNECFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C2HF3O2/c1-3-7-4-5(2)6;3-2(4,5)1(6)7/h5H,3-4,6H2,1-2H3;(H,6,7).
What are the key properties of 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid?
1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 217.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86631164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).