1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one

C13H15F3N2O — CID 62815898

IUPAC1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
SMILESCC(Nc1cc(F)c(F)cc1F)C(=O)N1CCCC1
InChIInChI=1S/C13H15F3N2O/c1-8(13(19)18-4-2-3-5-18)17-12-7-10(15)9(14)6-11(12)16/h6-8,17H,2-5H2,1H3
InChIKeyUVAMRGPRYYGUFW-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.53
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one

1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one (PubChem CID 62815898) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
PubChem CID62815898
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
SMILESCC(Nc1cc(F)c(F)cc1F)C(=O)N1CCCC1
InChIInChI=1S/C13H15F3N2O/c1-8(13(19)18-4-2-3-5-18)17-12-7-10(15)9(14)6-11(12)16/h6-8,17H,2-5H2,1H3
InChIKeyUVAMRGPRYYGUFW-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(2,4,5-trifluoroanilino)acetamide
CID 75475826
1-(azepan-1-yl)-2-(5-bromo-2-fluoroanilino)propan-1-one
CID 43555646
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
2-(2-fluoro-4-nitroanilino)-1-piperidin-1-ylpropan-1-one
CID 115587014
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
CID 79768419
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 82016089
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827
2-(2,5-dibromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 54955580
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one (CID 62815898) is 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one is CC(Nc1cc(F)c(F)cc1F)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one?
The InChIKey is UVAMRGPRYYGUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-8(13(19)18-4-2-3-5-18)17-12-7-10(15)9(14)6-11(12)16/h6-8,17H,2-5H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one?
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one has a molecular weight of 272.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one is sourced from PubChem (CID 62815898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).