3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine

C13H15ClFNO — CID 66362056

IUPAC3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
SMILESFc1ccc2c(c1)CC(CN1CCC(Cl)C1)O2
InChIInChI=1S/C13H15ClFNO/c14-10-3-4-16(7-10)8-12-6-9-5-11(15)1-2-13(9)17-12/h1-2,5,10,12H,3-4,6-8H2
InChIKeyYZYRUQDZTFLEEZ-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.44
Rot. Bonds2

About 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine

3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine (PubChem CID 66362056) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
PubChem CID66362056
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
SMILESFc1ccc2c(c1)CC(CN1CCC(Cl)C1)O2
InChIInChI=1S/C13H15ClFNO/c14-10-3-4-16(7-10)8-12-6-9-5-11(15)1-2-13(9)17-12/h1-2,5,10,12H,3-4,6-8H2
InChIKeyYZYRUQDZTFLEEZ-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine 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 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine?
The IUPAC name of 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine (CID 66362056) is 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine?
The canonical SMILES for 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine is Fc1ccc2c(c1)CC(CN1CCC(Cl)C1)O2.
What is the InChIKey of 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine?
The InChIKey is YZYRUQDZTFLEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-10-3-4-16(7-10)8-12-6-9-5-11(15)1-2-13(9)17-12/h1-2,5,10,12H,3-4,6-8H2.
What are the key properties of 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine?
3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine has a molecular weight of 255.72 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 66362056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).