1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one

C15H20FNO — CID 50747003

IUPAC1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC1c1ccccc1F
InChIInChI=1S/C15H20FNO/c1-11(2)10-15(18)17-9-5-8-14(17)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyCVOREHYJYXEQJJ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.54
Rot. Bonds3

About 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one

1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one (PubChem CID 50747003) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
PubChem CID50747003
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC1c1ccccc1F
InChIInChI=1S/C15H20FNO/c1-11(2)10-15(18)17-9-5-8-14(17)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyCVOREHYJYXEQJJ-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-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-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one (CID 50747003) is 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCCC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The InChIKey is CVOREHYJYXEQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11(2)10-15(18)17-9-5-8-14(17)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,5,8-10H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one?
1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 50747003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).