(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine

C10H11F2NO2 — CID 91980144

IUPAC(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine
SMILESCN[C@@H](C)c1cccc2c1OC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-6(13-2)7-4-3-5-8-9(7)15-10(11,12)14-8/h3-6,13H,1-2H3/t6-/m0/s1
InChIKeyFCVBWUNGEBMYBN-LURJTMIESA-N
MW215.20 g/mol
LogP2.29
Rot. Bonds2

About (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine

(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine (PubChem CID 91980144) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine
PubChem CID91980144
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine
SMILESCN[C@@H](C)c1cccc2c1OC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-6(13-2)7-4-3-5-8-9(7)15-10(11,12)14-8/h3-6,13H,1-2H3/t6-/m0/s1
InChIKeyFCVBWUNGEBMYBN-LURJTMIESA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine?
The IUPAC name of (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine (CID 91980144) is (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine is CN[C@@H](C)c1cccc2c1OC(F)(F)O2.
What is the InChIKey of (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine?
The InChIKey is FCVBWUNGEBMYBN-LURJTMIESA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6(13-2)7-4-3-5-8-9(7)15-10(11,12)14-8/h3-6,13H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine?
(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine has a molecular weight of 215.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-methylethanamine is sourced from PubChem (CID 91980144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).