3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one

C13H17FN2O — CID 82083612

IUPAC3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(CC(=O)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c14-11-5-3-10(4-6-11)12(15)9-13(17)16-7-1-2-8-16/h3-6,12H,1-2,7-9,15H2
InChIKeyIFQVZDAUTSQNAC-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.84
Rot. Bonds3

About 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one

3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 82083612) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID82083612
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(CC(=O)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c14-11-5-3-10(4-6-11)12(15)9-13(17)16-7-1-2-8-16/h3-6,12H,1-2,7-9,15H2
InChIKeyIFQVZDAUTSQNAC-UHFFFAOYSA-N
XLogP1.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-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

3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 119950821
4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one
CID 66432533
2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
CID 163525118
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 947485
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119952236
3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851396
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 44890909
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 82083612) is 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one is NC(CC(=O)N1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IFQVZDAUTSQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-5-3-10(4-6-11)12(15)9-13(17)16-7-1-2-8-16/h3-6,12H,1-2,7-9,15H2.
What are the key properties of 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one?
3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 236.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 82083612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).