2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine

C13H15F2NO2 — CID 116838943

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine
SMILESFC(F)(c1ccc2c(c1)OCCO2)C1CCCN1
InChIInChI=1S/C13H15F2NO2/c14-13(15,12-2-1-5-16-12)9-3-4-10-11(8-9)18-7-6-17-10/h3-4,8,12,16H,1-2,5-7H2
InChIKeyJJFABLSSEULQFH-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.30
Rot. Bonds2

About 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine

2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine (PubChem CID 116838943) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine
PubChem CID116838943
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine
SMILESFC(F)(c1ccc2c(c1)OCCO2)C1CCCN1
InChIInChI=1S/C13H15F2NO2/c14-13(15,12-2-1-5-16-12)9-3-4-10-11(8-9)18-7-6-17-10/h3-4,8,12,16H,1-2,5-7H2
InChIKeyJJFABLSSEULQFH-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole
CID 116841652
2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 116838978
2-[difluoro(phenyl)methyl]azepane
CID 105483060
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]pyrrolidine
CID 116840192
2-[(3-bromo-4-methoxyphenyl)-difluoromethyl]piperidine
CID 116839169
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120574644
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine
CID 66328132
bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 6544419
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine
CID 83108835
2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine
CID 116839188
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760103

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine (CID 116838943) is 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine is FC(F)(c1ccc2c(c1)OCCO2)C1CCCN1.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine?
The InChIKey is JJFABLSSEULQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-13(15,12-2-1-5-16-12)9-3-4-10-11(8-9)18-7-6-17-10/h3-4,8,12,16H,1-2,5-7H2.
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine?
2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine has a molecular weight of 255.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine is sourced from PubChem (CID 116838943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).