3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one

C15H20FNO — CID 63217889

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one
SMILESCC1(C)CCCN1CCC(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO/c1-15(2)9-5-10-17(15)11-8-14(18)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyMWNHUWKAUYOHDW-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.27
Rot. Bonds4

About 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one

3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one (PubChem CID 63217889) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one
PubChem CID63217889
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one
SMILESCC1(C)CCCN1CCC(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO/c1-15(2)9-5-10-17(15)11-8-14(18)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyMWNHUWKAUYOHDW-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)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

3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679767
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 65324258
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-one
CID 62619210
1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62941183
3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 62645116
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one
CID 62643032
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 62619030
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62618678
1-(2-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558764
1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 10112652
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one (CID 63217889) is 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one is CC1(C)CCCN1CCC(=O)c1ccccc1F.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one?
The InChIKey is MWNHUWKAUYOHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-15(2)9-5-10-17(15)11-8-14(18)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one?
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 63217889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).