1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine

C10H11F2NO2 — CID 142063665

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-13(2)6-7-3-4-8-9(5-7)15-10(11,12)14-8/h3-5H,6H2,1-2H3
InChIKeyGCDKJNYALHLYKI-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.07
Rot. Bonds2

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine (PubChem CID 142063665) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine
PubChem CID142063665
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-13(2)6-7-3-4-8-9(5-7)15-10(11,12)14-8/h3-5H,6H2,1-2H3
InChIKeyGCDKJNYALHLYKI-UHFFFAOYSA-N
XLogP2.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine (CID 142063665) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine is CN(C)Cc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine?
The InChIKey is GCDKJNYALHLYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-13(2)6-7-3-4-8-9(5-7)15-10(11,12)14-8/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine has a molecular weight of 215.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 142063665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).