1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one

C14H18FNO — CID 606126

IUPAC1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C14H18FNO/c1-2-5-14(17)11-6-7-13(12(15)10-11)16-8-3-4-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyVKSFCOHWIAGNDT-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.41
Rot. Bonds4

About 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one

1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one (PubChem CID 606126) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one
PubChem CID606126
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C14H18FNO/c1-2-5-14(17)11-6-7-13(12(15)10-11)16-8-3-4-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyVKSFCOHWIAGNDT-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one?
The IUPAC name of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one (CID 606126) is 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one?
The canonical SMILES for 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one is CCCC(=O)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one?
The InChIKey is VKSFCOHWIAGNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-5-14(17)11-6-7-13(12(15)10-11)16-8-3-4-9-16/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one?
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one has a molecular weight of 235.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one is sourced from PubChem (CID 606126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).