1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)

C10H10F6N2O6 — CID 172816872

IUPAC1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)
SMILESNCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N2O2.2C2HF3O2/c7-3-4-8-5(9)1-2-6(8)10;2*3-2(4,5)1(6)7/h1-2H,3-4,7H2;2*(H,6,7)
InChIKeySXRCKKZKXAHZJY-UHFFFAOYSA-N
MW368.19 g/mol
LogP0.14
Rot. Bonds2

About 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)

1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid) (PubChem CID 172816872) has the molecular formula C10H10F6N2O6 and a molecular weight of 368.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)
PubChem CID172816872
Molecular FormulaC10H10F6N2O6
Molecular Weight368.19 g/mol
Exact Mass368.04
IUPAC Name1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)
SMILESNCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N2O2.2C2HF3O2/c7-3-4-8-5(9)1-2-6(8)10;2*3-2(4,5)1(6)7/h1-2H,3-4,7H2;2*(H,6,7)
InChIKeySXRCKKZKXAHZJY-UHFFFAOYSA-N
XLogP0.14
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

n-(2-aminoethyl)maleimide, trifluoroacetate salt
CID 16212752
1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione; trifluoroacetic acid
CID 57383513
1-(6-aminohexyl)-2,5-dihydro-1H-pyrrole-2,5-dione; trifluoroacetic acid
CID 57383514
2-(2,5-Dioxopyrrol-1-yl)ethylazanium;2,2,2-trifluoroacetate
CID 2778790
N'-(trifluoroacetyl)-N'-(allyl)-ethylenediamine trifluoroacetate
CID 19974025
1-(5-Aminopentyl)-1H-pyrrole-2,5-dione 2,2,2-Trifluoroacetate
CID 23289134
2-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]ethylazanium;2,2,2-trifluoroacetate
CID 51341001
3-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-propylammonium trifluoroacetate
CID 67388280
Ethanamine;pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
CID 68937420
N-(2-aminoethyl)-4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-methylbutanamide trifluoroacetate
CID 70980590
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[2-(methylamino) ethyl]butanamide trifluoroacetate
CID 70980839
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-methyl-N-[2-(methylamino)ethyl]butanamide trifluoroacetate
CID 70981143

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid) (CID 172816872) is 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid) is NCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SXRCKKZKXAHZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.2C2HF3O2/c7-3-4-8-5(9)1-2-6(8)10;2*3-2(4,5)1(6)7/h1-2H,3-4,7H2;2*(H,6,7).
What are the key properties of 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid)?
1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 368.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrole-2,5-dione;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 172816872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).