1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

C9H9BrF3NOS — CID 60892745

IUPAC1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C9H9BrF3NOS/c1-14(5-9(11,12)13)4-6(15)7-2-3-8(10)16-7/h2-3H,4-5H2,1H3
InChIKeyVPOVMYSADCVWPT-UHFFFAOYSA-N
MW316.14 g/mol
LogP3.19
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 60892745) has the molecular formula C9H9BrF3NOS and a molecular weight of 316.14 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID60892745
Molecular FormulaC9H9BrF3NOS
Molecular Weight316.14 g/mol
Exact Mass314.95
IUPAC Name1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C9H9BrF3NOS/c1-14(5-9(11,12)13)4-6(15)7-2-3-8(10)16-7/h2-3H,4-5H2,1H3
InChIKeyVPOVMYSADCVWPT-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (CID 60892745) is 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is CN(CC(=O)c1ccc(Br)s1)CC(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is VPOVMYSADCVWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NOS/c1-14(5-9(11,12)13)4-6(15)7-2-3-8(10)16-7/h2-3H,4-5H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 316.14 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 60892745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).