3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one

C15H20FNO — CID 166637371

IUPAC3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCC(F)C(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H20FNO/c1-2-13(16)14(17-10-6-7-11-17)15(18)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeyDWFRXMLQBGXMNW-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.08
Rot. Bonds5

About 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one

3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 166637371) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
PubChem CID166637371
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCC(F)C(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H20FNO/c1-2-13(16)14(17-10-6-7-11-17)15(18)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeyDWFRXMLQBGXMNW-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-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

Mephedrone
CID 45266826
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Alpha-Pyrrolidinopentiophenone
CID 11148955
Monomethylpropion
CID 1576
Metamfepramone
CID 71872
Pyrovalerone
CID 14373
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
3-(Dimethylamino)-1-phenyl-1-propanone
CID 77042
Lanperisone
CID 198707
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 14372
4-Methylethcathinone
CID 52988259

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one (CID 166637371) is 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one is CCC(F)C(C(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is DWFRXMLQBGXMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-13(16)14(17-10-6-7-11-17)15(18)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3.
What are the key properties of 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-phenyl-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 166637371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).