4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride

C11H14ClF2N — CID 115039890

IUPAC4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cccc(C2CC(F)(F)CN2)c1.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-8-3-2-4-9(5-8)10-6-11(12,13)7-14-10;/h2-5,10,14H,6-7H2,1H3;1H
InChIKeyJRPUEDWJSFLKCU-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.09
Rot. Bonds1

About 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride

4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride (PubChem CID 115039890) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride
PubChem CID115039890
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cccc(C2CC(F)(F)CN2)c1.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-8-3-2-4-9(5-8)10-6-11(12,13)7-14-10;/h2-5,10,14H,6-7H2,1H3;1H
InChIKeyJRPUEDWJSFLKCU-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-difluoro-2-(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

4,4-difluoro-2-(3-methylphenyl)pyrrolidine
CID 84720826
2-(3-bromophenyl)-4,4-difluoropyrrolidine
CID 84729618
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256
3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol
CID 84720458
3-(4,4-difluoropiperidin-2-yl)phenol
CID 84782688
1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene
CID 138569427
(2R)-2-(3-methylphenyl)azepane
CID 7048257
4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 176665910
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
5,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
CID 117227011

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride (CID 115039890) is 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride is Cc1cccc(C2CC(F)(F)CN2)c1.Cl.
What is the InChIKey of 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride?
The InChIKey is JRPUEDWJSFLKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c1-8-3-2-4-9(5-8)10-6-11(12,13)7-14-10;/h2-5,10,14H,6-7H2,1H3;1H.
What are the key properties of 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride?
4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 115039890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).