2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride

C12H14ClF2N — CID 126844673

IUPAC2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride
SMILESCl.Fc1cc(F)cc(/C=C/C2CCCN2)c1
InChIInChI=1S/C12H13F2N.ClH/c13-10-6-9(7-11(14)8-10)3-4-12-2-1-5-15-12;/h3-4,6-8,12,15H,1-2,5H2;1H/b4-3+;
InChIKeyYSCLKZOKQGWUCB-BJILWQEISA-N
MW245.70 g/mol
LogP3.15
Rot. Bonds2

About 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride

2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride (PubChem CID 126844673) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride
PubChem CID126844673
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride
SMILESCl.Fc1cc(F)cc(/C=C/C2CCCN2)c1
InChIInChI=1S/C12H13F2N.ClH/c13-10-6-9(7-11(14)8-10)3-4-12-2-1-5-15-12;/h3-4,6-8,12,15H,1-2,5H2;1H/b4-3+;
InChIKeyYSCLKZOKQGWUCB-BJILWQEISA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride 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-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride (CID 126844673) is 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride is Cl.Fc1cc(F)cc(/C=C/C2CCCN2)c1.
What is the InChIKey of 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride?
The InChIKey is YSCLKZOKQGWUCB-BJILWQEISA-N. The full InChI is InChI=1S/C12H13F2N.ClH/c13-10-6-9(7-11(14)8-10)3-4-12-2-1-5-15-12;/h3-4,6-8,12,15H,1-2,5H2;1H/b4-3+;.
What are the key properties of 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride?
2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride has a molecular weight of 245.70 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 126844673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).