1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

C10H12BrF2NO2S — CID 107481163

IUPAC1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H12BrF2NO2S/c11-9-2-1-8(17-9)7(16)5-14(3-4-15)6-10(12)13/h1-2,10,15H,3-6H2
InChIKeyYLVYBAJZZOEIFN-UHFFFAOYSA-N
MW328.18 g/mol
LogP2.25
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (PubChem CID 107481163) has the molecular formula C10H12BrF2NO2S and a molecular weight of 328.18 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
PubChem CID107481163
Molecular FormulaC10H12BrF2NO2S
Molecular Weight328.18 g/mol
Exact Mass326.97
IUPAC Name1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H12BrF2NO2S/c11-9-2-1-8(17-9)7(16)5-14(3-4-15)6-10(12)13/h1-2,10,15H,3-6H2
InChIKeyYLVYBAJZZOEIFN-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)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-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (CID 107481163) is 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)CC(F)F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is YLVYBAJZZOEIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO2S/c11-9-2-1-8(17-9)7(16)5-14(3-4-15)6-10(12)13/h1-2,10,15H,3-6H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 328.18 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 107481163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).