3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride

C11H15ClFN — CID 169498179

IUPAC3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1ccc(F)cc1C1CCNC1.Cl
InChIInChI=1S/C11H14FN.ClH/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9;/h2-3,6,9,13H,4-5,7H2,1H3;1H
InChIKeyJCYSKRZTBYPXLT-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.63
Rot. Bonds1

About 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride

3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride (PubChem CID 169498179) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
PubChem CID169498179
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1ccc(F)cc1C1CCNC1.Cl
InChIInChI=1S/C11H14FN.ClH/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9;/h2-3,6,9,13H,4-5,7H2,1H3;1H
InChIKeyJCYSKRZTBYPXLT-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride (CID 169498179) is 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride is Cc1ccc(F)cc1C1CCNC1.Cl.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride?
The InChIKey is JCYSKRZTBYPXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN.ClH/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9;/h2-3,6,9,13H,4-5,7H2,1H3;1H.
What are the key properties of 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride?
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 169498179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).