1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C14H18FNO — CID 50747022

IUPAC1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-10(2)14(17)16-9-3-4-13(16)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyZSOICYLHMJRNQK-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.15
Rot. Bonds2

About 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 50747022) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID50747022
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-10(2)14(17)16-9-3-4-13(16)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyZSOICYLHMJRNQK-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50746934
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95283621
1-(4-fluorophenyl)-2-(4-methylphenyl)pyrrolidine
CID 159405630
1-[5-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 32626574

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 50747022) is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZSOICYLHMJRNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10(2)14(17)16-9-3-4-13(16)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 235.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 50747022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).