2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone

C12H11F5N2O — CID 115279721

IUPAC2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1c(F)c(F)c(F)c(F)c1F)N1CCCC1
InChIInChI=1S/C12H11F5N2O/c13-7-8(14)10(16)12(11(17)9(7)15)18-5-6(20)19-3-1-2-4-19/h18H,1-5H2
InChIKeySIKNPGSBIQEARH-UHFFFAOYSA-N
MW294.22 g/mol
LogP2.42
Rot. Bonds3

About 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone

2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone (PubChem CID 115279721) has the molecular formula C12H11F5N2O and a molecular weight of 294.22 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
PubChem CID115279721
Molecular FormulaC12H11F5N2O
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC Name2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1c(F)c(F)c(F)c(F)c1F)N1CCCC1
InChIInChI=1S/C12H11F5N2O/c13-7-8(14)10(16)12(11(17)9(7)15)18-5-6(20)19-3-1-2-4-19/h18H,1-5H2
InChIKeySIKNPGSBIQEARH-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone 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

2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
CID 65467650
1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone
CID 107644421
2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
CID 115909087
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
2-(4-bromo-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 28993380
2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 106890724
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
1-(azepan-1-yl)-2-(3-fluoro-5-methylanilino)ethanone
CID 79055078
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
2-(2-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113319310
1-(azepan-1-yl)-2-(2,5-difluoro-4-methylanilino)ethanone
CID 103585764

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone (CID 115279721) is 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone is O=C(CNc1c(F)c(F)c(F)c(F)c1F)N1CCCC1.
What is the InChIKey of 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone?
The InChIKey is SIKNPGSBIQEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2O/c13-7-8(14)10(16)12(11(17)9(7)15)18-5-6(20)19-3-1-2-4-19/h18H,1-5H2.
What are the key properties of 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone?
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone has a molecular weight of 294.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 115279721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).