ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate

C8H15F3N2O4 — CID 86628586

IUPACethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate
SMILESCC[NH2+]CC(=O)NCCO.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H14N2O2.C2HF3O2/c1-2-7-5-6(10)8-3-4-9;3-2(4,5)1(6)7/h7,9H,2-5H2,1H3,(H,8,10);(H,6,7)
InChIKeyJMACCKWYDKMPMX-UHFFFAOYSA-N
MW260.21 g/mol
LogP-3.02
Rot. Bonds5

About ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate

ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate (PubChem CID 86628586) has the molecular formula C8H15F3N2O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate
PubChem CID86628586
Molecular FormulaC8H15F3N2O4
Molecular Weight260.21 g/mol
Exact Mass260.10
IUPAC Nameethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate
SMILESCC[NH2+]CC(=O)NCCO.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H14N2O2.C2HF3O2/c1-2-7-5-6(10)8-3-4-9;3-2(4,5)1(6)7/h7,9H,2-5H2,1H3,(H,8,10);(H,6,7)
InChIKeyJMACCKWYDKMPMX-UHFFFAOYSA-N
XLogP-3.02
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 5-3.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate?
The IUPAC name of ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate (CID 86628586) is ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate?
The canonical SMILES for ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate is CC[NH2+]CC(=O)NCCO.O=C([O-])C(F)(F)F.
What is the InChIKey of ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate?
The InChIKey is JMACCKWYDKMPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C2HF3O2/c1-2-7-5-6(10)8-3-4-9;3-2(4,5)1(6)7/h7,9H,2-5H2,1H3,(H,8,10);(H,6,7).
What are the key properties of ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate?
ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate has a molecular weight of 260.21 g/mol, XLogP of -3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(2-hydroxyethylamino)-2-oxoethyl]azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 86628586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).