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

C10H12Cl2FN — CID 77131964

IUPAC2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(C2CCCN2)c(Cl)c1
InChIInChI=1S/C10H11ClFN.ClH/c11-9-6-7(12)3-4-8(9)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H
InChIKeyMEQDBZDOFUTQML-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.33
Rot. Bonds1

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

2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride (PubChem CID 77131964) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
PubChem CID77131964
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(C2CCCN2)c(Cl)c1
InChIInChI=1S/C10H11ClFN.ClH/c11-9-6-7(12)3-4-8(9)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H
InChIKeyMEQDBZDOFUTQML-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
CID 174947937
CID 174947937
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride (CID 77131964) is 2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride is Cl.Fc1ccc(C2CCCN2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride?
The InChIKey is MEQDBZDOFUTQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN.ClH/c11-9-6-7(12)3-4-8(9)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H.
What are the key properties of 2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride?
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride has a molecular weight of 236.12 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 77131964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).