3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride

C10H12Cl2FN — CID 112756457

IUPAC3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride
SMILESCl.FC1(c2ccccc2Cl)CCNC1
InChIInChI=1S/C10H11ClFN.ClH/c11-9-4-2-1-3-8(9)10(12)5-6-13-7-10;/h1-4,13H,5-7H2;1H
InChIKeyFMNPEVNALHJREB-UHFFFAOYSA-N
MW236.12 g/mol
LogP2.92
Rot. Bonds1

About 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride

3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride (PubChem CID 112756457) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride
PubChem CID112756457
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride
SMILESCl.FC1(c2ccccc2Cl)CCNC1
InChIInChI=1S/C10H11ClFN.ClH/c11-9-4-2-1-3-8(9)10(12)5-6-13-7-10;/h1-4,13H,5-7H2;1H
InChIKeyFMNPEVNALHJREB-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Chlorophenyl)ethylamine
CID 83117
2-(2-Chloro-6-fluorophenyl)ethan-1-amine
CID 2734094
3-(4-Chlorophenyl)-2-nortropene
CID 9859279
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
3-(4-Chlorophenyl)pyrrolidine
CID 129150
2-(2-chlorophenyl)-N-methylethanamine
CID 12351385
4-(4-chlorophenyl)piperidine Hydrochloride
CID 2757843
N-(2-chloro-6-fluorobenzyl)-N-hexylamine
CID 1814789
6-chloro-7-fluoro-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 44451422
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572165
3-(3-chloro-4-fluorophenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541195
3-(4-chlorophenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541287

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride (CID 112756457) is 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride is Cl.FC1(c2ccccc2Cl)CCNC1.
What is the InChIKey of 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride?
The InChIKey is FMNPEVNALHJREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN.ClH/c11-9-4-2-1-3-8(9)10(12)5-6-13-7-10;/h1-4,13H,5-7H2;1H.
What are the key properties of 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride?
3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride has a molecular weight of 236.12 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-fluoropyrrolidine;hydrochloride is sourced from PubChem (CID 112756457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).