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

C14H18FNO — CID 51075833

IUPAC1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-2-4-14(17)16-10-3-5-13(16)11-6-8-12(15)9-7-11/h6-9,13H,2-5,10H2,1H3
InChIKeyZOQSRDGEAPITAX-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.29
Rot. Bonds3

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

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 51075833) 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]butan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
PubChem CID51075833
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-2-4-14(17)16-10-3-5-13(16)11-6-8-12(15)9-7-11/h6-9,13H,2-5,10H2,1H3
InChIKeyZOQSRDGEAPITAX-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one (CID 51075833) is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is ZOQSRDGEAPITAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-4-14(17)16-10-3-5-13(16)11-6-8-12(15)9-7-11/h6-9,13H,2-5,10H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one?
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 235.30 g/mol, XLogP of 3.29, 3 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]butan-1-one is sourced from PubChem (CID 51075833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).