1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine

C13H13Br2FN2O — CID 55032745

IUPAC1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(c1ccccc1F)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H13Br2FN2O/c1-18(10-5-3-2-4-9(10)16)11(7-17)12-6-8(14)13(15)19-12/h2-6,11H,7,17H2,1H3
InChIKeyJCJFXWHJXSIDRJ-UHFFFAOYSA-N
MW392.07 g/mol
LogP4.08
Rot. Bonds4

About 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine

1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 55032745) has the molecular formula C13H13Br2FN2O and a molecular weight of 392.07 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
PubChem CID55032745
Molecular FormulaC13H13Br2FN2O
Molecular Weight392.07 g/mol
Exact Mass389.94
IUPAC Name1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(c1ccccc1F)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H13Br2FN2O/c1-18(10-5-3-2-4-9(10)16)11(7-17)12-6-8(14)13(15)19-12/h2-6,11H,7,17H2,1H3
InChIKeyJCJFXWHJXSIDRJ-UHFFFAOYSA-N
XLogP4.08
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine (CID 55032745) is 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine is CN(c1ccccc1F)C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is JCJFXWHJXSIDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2FN2O/c1-18(10-5-3-2-4-9(10)16)11(7-17)12-6-8(14)13(15)19-12/h2-6,11H,7,17H2,1H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 392.07 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 55032745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).