1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one

C13H16FNO — CID 116560826

IUPAC1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(Cc1ccc(F)cc1)CC1CCCN1
InChIInChI=1S/C13H16FNO/c14-11-5-3-10(4-6-11)8-13(16)9-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2
InChIKeyYHZJMAHLNSKULJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.08
Rot. Bonds4

About 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one

1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one (PubChem CID 116560826) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
PubChem CID116560826
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(Cc1ccc(F)cc1)CC1CCCN1
InChIInChI=1S/C13H16FNO/c14-11-5-3-10(4-6-11)8-13(16)9-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2
InChIKeyYHZJMAHLNSKULJ-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560927
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
N-cyclopropyl-2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626819
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608292
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
CID 123192463

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one (CID 116560826) is 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one is O=C(Cc1ccc(F)cc1)CC1CCCN1.
What is the InChIKey of 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one?
The InChIKey is YHZJMAHLNSKULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-5-3-10(4-6-11)8-13(16)9-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2.
What are the key properties of 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one?
1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one is sourced from PubChem (CID 116560826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).