2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride

C11H14ClF2N — CID 138040825

IUPAC2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1ccc(F)c(C2CCCN2)c1F.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-7-4-5-8(12)10(11(7)13)9-3-2-6-14-9;/h4-5,9,14H,2-3,6H2,1H3;1H
InChIKeyFUZOVJCTAQNPOR-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.12
Rot. Bonds1

About 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride

2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride (PubChem CID 138040825) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
PubChem CID138040825
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1ccc(F)c(C2CCCN2)c1F.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-7-4-5-8(12)10(11(7)13)9-3-2-6-14-9;/h4-5,9,14H,2-3,6H2,1H3;1H
InChIKeyFUZOVJCTAQNPOR-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,6-difluoro-3-methylphenyl)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

(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
CID 117330920
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride (CID 138040825) is 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride is Cc1ccc(F)c(C2CCCN2)c1F.Cl.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride?
The InChIKey is FUZOVJCTAQNPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c1-7-4-5-8(12)10(11(7)13)9-3-2-6-14-9;/h4-5,9,14H,2-3,6H2,1H3;1H.
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride?
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 138040825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).