2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride

C11H12ClF2NO2 — CID 169449503

IUPAC2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
SMILESCl.FC1(F)Oc2ccc(C3CCCN3)cc2O1
InChIInChI=1S/C11H11F2NO2.ClH/c12-11(13)15-9-4-3-7(6-10(9)16-11)8-2-1-5-14-8;/h3-4,6,8,14H,1-2,5H2;1H
InChIKeyNTJPALVKDGKKMV-UHFFFAOYSA-N
MW263.67 g/mol
LogP2.85
Rot. Bonds1

About 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride

2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride (PubChem CID 169449503) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
PubChem CID169449503
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
SMILESCl.FC1(F)Oc2ccc(C3CCCN3)cc2O1
InChIInChI=1S/C11H11F2NO2.ClH/c12-11(13)15-9-4-3-7(6-10(9)16-11)8-2-1-5-14-8;/h3-4,6,8,14H,1-2,5H2;1H
InChIKeyNTJPALVKDGKKMV-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-difluoro-1,3-benzodioxol-5-yl)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-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 171196163
(2S)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 66519154
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine
CID 117436350
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
2-(2,2-dimethyl-1,3-benzoxathiol-6-yl)piperidine
CID 117377648
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
2-methyl-6-pyrrolidin-2-yl-4H-1,4-benzoxazin-3-one
CID 82279475
2-(1-benzofuran-6-yl)pyrrolidine
CID 82602445
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
5-(4-fluorophenyl)-1,4-diazocane
CID 58295234

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride (CID 169449503) is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride is Cl.FC1(F)Oc2ccc(C3CCCN3)cc2O1.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride?
The InChIKey is NTJPALVKDGKKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2.ClH/c12-11(13)15-9-4-3-7(6-10(9)16-11)8-2-1-5-14-8;/h3-4,6,8,14H,1-2,5H2;1H.
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride?
2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride has a molecular weight of 263.67 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 169449503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).