3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one

C13H14F3NO — CID 126796221

IUPAC3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC(c2ccccc2)C1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)8-12(18)17-7-6-11(9-17)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyWVNGREYCDWNMCN-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.95
Rot. Bonds2

About 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one

3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one (PubChem CID 126796221) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
PubChem CID126796221
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC(c2ccccc2)C1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)8-12(18)17-7-6-11(9-17)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyWVNGREYCDWNMCN-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-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

2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
CID 60605411
4,4,4-trifluoro-1-[(3R)-3-phenylazepan-1-yl]butan-1-one
CID 129355632
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 95592150
3,3-dimethyl-1-(4-phenylpiperidin-1-yl)pent-4-en-1-one
CID 72708672

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one (CID 126796221) is 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one is O=C(CC(F)(F)F)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
The InChIKey is WVNGREYCDWNMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)8-12(18)17-7-6-11(9-17)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one has a molecular weight of 257.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 126796221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).