2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride

C10H12Cl2FN — CID 77131967

IUPAC2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1C1CCCN1
InChIInChI=1S/C10H11ClFN.ClH/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9;/h1,3-4,9,13H,2,5-6H2;1H
InChIKeyVRRMWHPZTXGTTO-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.33
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride

2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride (PubChem CID 77131967) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
PubChem CID77131967
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1C1CCCN1
InChIInChI=1S/C10H11ClFN.ClH/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9;/h1,3-4,9,13H,2,5-6H2;1H
InChIKeyVRRMWHPZTXGTTO-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride (CID 77131967) is 2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride is Cl.Fc1cccc(Cl)c1C1CCCN1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride?
The InChIKey is VRRMWHPZTXGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN.ClH/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9;/h1,3-4,9,13H,2,5-6H2;1H.
What are the key properties of 2-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride?
2-(2-chloro-6-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-6-fluorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 77131967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).