2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine

C10H11BrFNO2 — CID 117441609

IUPAC2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCC(C)(N)c1c(F)cc2c(c1Br)OCO2
InChIInChI=1S/C10H11BrFNO2/c1-10(2,13)7-5(12)3-6-9(8(7)11)15-4-14-6/h3H,4,13H2,1-2H3
InChIKeyUOYFEWRLRYMTKA-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.51
Rot. Bonds1

About 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine

2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine (PubChem CID 117441609) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine
PubChem CID117441609
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCC(C)(N)c1c(F)cc2c(c1Br)OCO2
InChIInChI=1S/C10H11BrFNO2/c1-10(2,13)7-5(12)3-6-9(8(7)11)15-4-14-6/h3H,4,13H2,1-2H3
InChIKeyUOYFEWRLRYMTKA-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine?
The IUPAC name of 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine (CID 117441609) is 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine?
The canonical SMILES for 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine is CC(C)(N)c1c(F)cc2c(c1Br)OCO2.
What is the InChIKey of 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine?
The InChIKey is UOYFEWRLRYMTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-10(2,13)7-5(12)3-6-9(8(7)11)15-4-14-6/h3H,4,13H2,1-2H3.
What are the key properties of 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine?
2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine has a molecular weight of 276.11 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-2-amine is sourced from PubChem (CID 117441609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).