(2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine

C10H11F2NO2 — CID 133082521

IUPAC(2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-6(13)4-7-2-3-8-9(5-7)15-10(11,12)14-8/h2-3,5-6H,4,13H2,1H3/t6-/m1/s1
InChIKeyBHDXKBALNFHXDV-ZCFIWIBFSA-N
MW215.20 g/mol
LogP1.90
Rot. Bonds2

About (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine

(2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine (PubChem CID 133082521) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine
PubChem CID133082521
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-6(13)4-7-2-3-8-9(5-7)15-10(11,12)14-8/h2-3,5-6H,4,13H2,1H3/t6-/m1/s1
InChIKeyBHDXKBALNFHXDV-ZCFIWIBFSA-N
XLogP1.90
TPSA44.48 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole
CID 22890491
N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methylpropan-2-amine
CID 20687175
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]butan-1-ol
CID 116998259
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine
CID 142063665
1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
CID 117294068
(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoroethanamine;hydrochloride
CID 171235298
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)butanamide;hydrochloride
CID 119693705
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 103387165
(2,2-difluoro-1,3-benzodioxol-5-yl)methyl methanesulfonate
CID 118084149
(1S,2R)-1-amino-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylbutan-2-ol;hydrochloride
CID 171271596
2-amino-2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol
CID 77129930

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine?
The IUPAC name of (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine (CID 133082521) is (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine is C[C@@H](N)Cc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine?
The InChIKey is BHDXKBALNFHXDV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6(13)4-7-2-3-8-9(5-7)15-10(11,12)14-8/h2-3,5-6H,4,13H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine?
(2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine has a molecular weight of 215.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine is sourced from PubChem (CID 133082521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).