2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine

C14H19ClFN — CID 112653822

IUPAC2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cccc(F)c2Cl)CCCN1
InChIInChI=1S/C14H19ClFN/c1-10(2)14(7-4-8-17-14)9-11-5-3-6-12(16)13(11)15/h3,5-6,10,17H,4,7-9H2,1-2H3
InChIKeyLXJYNZFSVVHZIS-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.80
Rot. Bonds3

About 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine

2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine (PubChem CID 112653822) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
PubChem CID112653822
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cccc(F)c2Cl)CCCN1
InChIInChI=1S/C14H19ClFN/c1-10(2)14(7-4-8-17-14)9-11-5-3-6-12(16)13(11)15/h3,5-6,10,17H,4,7-9H2,1-2H3
InChIKeyLXJYNZFSVVHZIS-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine 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-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine (CID 112653822) is 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine is CC(C)C1(Cc2cccc(F)c2Cl)CCCN1.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine?
The InChIKey is LXJYNZFSVVHZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10(2)14(7-4-8-17-14)9-11-5-3-6-12(16)13(11)15/h3,5-6,10,17H,4,7-9H2,1-2H3.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine?
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine has a molecular weight of 255.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 112653822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).