2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine

C12H13F2NO2 — CID 117354622

IUPAC2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
SMILESCC1(c2cccc3c2OC(F)(F)O3)CCCN1
InChIInChI=1S/C12H13F2NO2/c1-11(6-3-7-15-11)8-4-2-5-9-10(8)17-12(13,14)16-9/h2,4-5,15H,3,6-7H2,1H3
InChIKeyKUDMDNMXKTVZEQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.61
Rot. Bonds1

About 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine

2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine (PubChem CID 117354622) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
PubChem CID117354622
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
SMILESCC1(c2cccc3c2OC(F)(F)O3)CCCN1
InChIInChI=1S/C12H13F2NO2/c1-11(6-3-7-15-11)8-4-2-5-9-10(8)17-12(13,14)16-9/h2,4-5,15H,3,6-7H2,1H3
InChIKeyKUDMDNMXKTVZEQ-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
4-(2-methylpyrrolidin-2-yl)-1,3-benzoxathiol-2-one
CID 117342575
2-(2-chlorofuran-3-yl)-2-methylpyrrolidine
CID 82655515
(2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride
CID 171197321
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole
CID 117308417

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine (CID 117354622) is 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine is CC1(c2cccc3c2OC(F)(F)O3)CCCN1.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine?
The InChIKey is KUDMDNMXKTVZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-11(6-3-7-15-11)8-4-2-5-9-10(8)17-12(13,14)16-9/h2,4-5,15H,3,6-7H2,1H3.
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine?
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine has a molecular weight of 241.24 g/mol, XLogP of 2.61, 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-4-yl)-2-methylpyrrolidine is sourced from PubChem (CID 117354622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).