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

C10H12ClF2NO2S — CID 107481222

IUPAC1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClF2NO2S/c11-9-2-1-8(17-9)7(16)5-14(3-4-15)6-10(12)13/h1-2,10,15H,3-6H2
InChIKeyLBNPMPXFXMSYOC-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.14
Rot. Bonds7

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

1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (PubChem CID 107481222) has the molecular formula C10H12ClF2NO2S and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
PubChem CID107481222
Molecular FormulaC10H12ClF2NO2S
Molecular Weight283.73 g/mol
Exact Mass283.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClF2NO2S/c11-9-2-1-8(17-9)7(16)5-14(3-4-15)6-10(12)13/h1-2,10,15H,3-6H2
InChIKeyLBNPMPXFXMSYOC-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (CID 107481222) is 1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)CC(F)F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is LBNPMPXFXMSYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2S/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-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 283.73 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 107481222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).