1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone

C11H12Br2F3NOS — CID 55010173

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F
InChIInChI=1S/C11H12Br2F3NOS/c1-2-3-17(6-11(14,15)16)5-8(18)7-4-9(12)19-10(7)13/h4H,2-3,5-6H2,1H3
InChIKeySWVUNVPASCCLDZ-UHFFFAOYSA-N
MW423.09 g/mol
LogP4.73
Rot. Bonds6

About 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone

1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010173) has the molecular formula C11H12Br2F3NOS and a molecular weight of 423.09 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010173
Molecular FormulaC11H12Br2F3NOS
Molecular Weight423.09 g/mol
Exact Mass420.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F
InChIInChI=1S/C11H12Br2F3NOS/c1-2-3-17(6-11(14,15)16)5-8(18)7-4-9(12)19-10(7)13/h4H,2-3,5-6H2,1H3
InChIKeySWVUNVPASCCLDZ-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.09
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010173) is 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone is CCCN(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is SWVUNVPASCCLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2F3NOS/c1-2-3-17(6-11(14,15)16)5-8(18)7-4-9(12)19-10(7)13/h4H,2-3,5-6H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 423.09 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).