2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone

C18H18FNO — CID 140930148

IUPAC2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C18H18FNO/c19-17-9-5-4-8-16(17)15-10-11-20(12-15)13-18(21)14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyVRJKGDJJZVZPJA-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.50
Rot. Bonds4

About 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone

2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone (PubChem CID 140930148) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
PubChem CID140930148
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C18H18FNO/c19-17-9-5-4-8-16(17)15-10-11-20(12-15)13-18(21)14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyVRJKGDJJZVZPJA-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone 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-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95334411
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 95871341
2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone
CID 59305185
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate
CID 156798736
2-phenacyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863471
4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
CID 94701076

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone (CID 140930148) is 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone is O=C(CN1CCC(c2ccccc2F)C1)c1ccccc1.
What is the InChIKey of 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone?
The InChIKey is VRJKGDJJZVZPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-9-5-4-8-16(17)15-10-11-20(12-15)13-18(21)14-6-2-1-3-7-14/h1-9,15H,10-13H2.
What are the key properties of 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone?
2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone has a molecular weight of 283.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 140930148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).