4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride

C12H17ClFN — CID 115037542

IUPAC4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cccc(C2(C)CC(F)CN2)c1.Cl
InChIInChI=1S/C12H16FN.ClH/c1-9-4-3-5-10(6-9)12(2)7-11(13)8-14-12;/h3-6,11,14H,7-8H2,1-2H3;1H
InChIKeyDASZEULMFQNSJB-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.96
Rot. Bonds1

About 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride

4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride (PubChem CID 115037542) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
PubChem CID115037542
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cccc(C2(C)CC(F)CN2)c1.Cl
InChIInChI=1S/C12H16FN.ClH/c1-9-4-3-5-10(6-9)12(2)7-11(13)8-14-12;/h3-6,11,14H,7-8H2,1-2H3;1H
InChIKeyDASZEULMFQNSJB-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride (CID 115037542) is 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride is Cc1cccc(C2(C)CC(F)CN2)c1.Cl.
What is the InChIKey of 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride?
The InChIKey is DASZEULMFQNSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN.ClH/c1-9-4-3-5-10(6-9)12(2)7-11(13)8-14-12;/h3-6,11,14H,7-8H2,1-2H3;1H.
What are the key properties of 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride?
4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 115037542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).