3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride

C10H12Cl2FN — CID 169498278

IUPAC3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1C1CCNC1
InChIInChI=1S/C10H11ClFN.ClH/c11-8-1-2-9(10(12)5-8)7-3-4-13-6-7;/h1-2,5,7,13H,3-4,6H2;1H
InChIKeyYKCLDHYDZIZWGR-UHFFFAOYSA-N
MW236.12 g/mol
LogP2.98
Rot. Bonds1

About 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride

3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride (PubChem CID 169498278) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
PubChem CID169498278
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1C1CCNC1
InChIInChI=1S/C10H11ClFN.ClH/c11-8-1-2-9(10(12)5-8)7-3-4-13-6-7;/h1-2,5,7,13H,3-4,6H2;1H
InChIKeyYKCLDHYDZIZWGR-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chloro-2-fluorophenyl)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

Related Compounds

3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402
4-chloro-1-cyclopentyl-2-fluorobenzene
CID 66685145
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
3-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
CID 169498555
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 83808419
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride (CID 169498278) is 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride is Cl.Fc1cc(Cl)ccc1C1CCNC1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride?
The InChIKey is YKCLDHYDZIZWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN.ClH/c11-8-1-2-9(10(12)5-8)7-3-4-13-6-7;/h1-2,5,7,13H,3-4,6H2;1H.
What are the key properties of 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride?
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride has a molecular weight of 236.12 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 169498278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).