1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one

C8H8F6N2O — CID 152695209

IUPAC1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one
SMILESO=C1C=CC(NCC(F)(F)F)N1CC(F)(F)F
InChIInChI=1S/C8H8F6N2O/c9-7(10,11)3-15-5-1-2-6(17)16(5)4-8(12,13)14/h1-2,5,15H,3-4H2
InChIKeyZQJYVKZWIQTGEO-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.43
Rot. Bonds3

About 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one

1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one (PubChem CID 152695209) has the molecular formula C8H8F6N2O and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one
PubChem CID152695209
Molecular FormulaC8H8F6N2O
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one
SMILESO=C1C=CC(NCC(F)(F)F)N1CC(F)(F)F
InChIInChI=1S/C8H8F6N2O/c9-7(10,11)3-15-5-1-2-6(17)16(5)4-8(12,13)14/h1-2,5,15H,3-4H2
InChIKeyZQJYVKZWIQTGEO-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one (CID 152695209) is 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one is O=C1C=CC(NCC(F)(F)F)N1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one?
The InChIKey is ZQJYVKZWIQTGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O/c9-7(10,11)3-15-5-1-2-6(17)16(5)4-8(12,13)14/h1-2,5,15H,3-4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one?
1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one has a molecular weight of 262.15 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylamino)-2H-pyrrol-5-one is sourced from PubChem (CID 152695209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).