1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone

C13H16FNO — CID 83986150

IUPAC1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c1-10(16)12-6-7-15(9-12)8-11-2-4-13(14)5-3-11/h2-5,12H,6-9H2,1H3
InChIKeyUHZRFNKHBCMQGG-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.24
Rot. Bonds3

About 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone

1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone (PubChem CID 83986150) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
PubChem CID83986150
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c1-10(16)12-6-7-15(9-12)8-11-2-4-13(14)5-3-11/h2-5,12H,6-9H2,1H3
InChIKeyUHZRFNKHBCMQGG-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83980928
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
(4-fluorophenyl)methyl (3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
CID 95731939
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]propan-1-one
CID 83980778
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone (CID 83986150) is 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone is CC(=O)C1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone?
The InChIKey is UHZRFNKHBCMQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10(16)12-6-7-15(9-12)8-11-2-4-13(14)5-3-11/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone?
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 83986150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).