(2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone

C11H11ClFNO — CID 2412251

IUPAC(2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC1
InChIInChI=1S/C11H11ClFNO/c12-10-7-8(13)3-4-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyBZNWSMROUGCRKN-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.72
Rot. Bonds1

About (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone

(2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 2412251) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID2412251
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name(2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC1
InChIInChI=1S/C11H11ClFNO/c12-10-7-8(13)3-4-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyBZNWSMROUGCRKN-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone 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 (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone (CID 2412251) is (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(F)cc1Cl)N1CCCC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is BZNWSMROUGCRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-10-7-8(13)3-4-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2.
What are the key properties of (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone?
(2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 227.67 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2412251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).