3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one

C12H8F6N2O — CID 139933599

IUPAC3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)6-1-7(12(16,17)18)3-8(2-6)20-9-4-10(21)19-5-9/h1-4,20H,5H2,(H,19,21)
InChIKeyQYRUTXWJSFHXSE-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.15
Rot. Bonds2

About 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one

3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one (PubChem CID 139933599) has the molecular formula C12H8F6N2O and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one
PubChem CID139933599
Molecular FormulaC12H8F6N2O
Molecular Weight310.20 g/mol
Exact Mass310.05
IUPAC Name3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)6-1-7(12(16,17)18)3-8(2-6)20-9-4-10(21)19-5-9/h1-4,20H,5H2,(H,19,21)
InChIKeyQYRUTXWJSFHXSE-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2,4-dioxobicyclo[3.2.1]octane-3-carboxamide
CID 11603558
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
CID 86655697
3,4-bis[3,5-bis(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dithione
CID 171057092
6-amino-4-[3,5-bis(trifluoromethyl)anilino]-1H-1,3,5-triazin-2-one
CID 135521180
(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 98423363
N-[3,5-bis(trifluoromethyl)phenyl]formamide
CID 11322837
N-bis[3,5-bis(trifluoromethyl)anilino]phosphoryl-3,5-bis(trifluoromethyl)aniline
CID 102421192
N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline
CID 18328539
N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine
CID 10154812
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34199236
N-[5-[3,5-bis(trifluoromethyl)anilino]-3-oxo-1,2-thiazol-4-yl]pyrrolidine-1-carboxamide
CID 58712262
3-[3-bromo-5-(trifluoromethyl)anilino]-1H-pyridazin-6-one
CID 54767795

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one (CID 139933599) is 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one is O=C1C=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one?
The InChIKey is QYRUTXWJSFHXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2O/c13-11(14,15)6-1-7(12(16,17)18)3-8(2-6)20-9-4-10(21)19-5-9/h1-4,20H,5H2,(H,19,21).
What are the key properties of 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one?
3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one has a molecular weight of 310.20 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 139933599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).