1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C9H11BrF3NOS — CID 103215812

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C9H11BrF3NOS/c1-14-8(2-15-5-9(11,12)13)6-3-16-4-7(6)10/h3-4,8,14H,2,5H2,1H3
InChIKeyZPYMIUWFIWCHDB-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.35
Rot. Bonds5

About 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215812) has the molecular formula C9H11BrF3NOS and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215812
Molecular FormulaC9H11BrF3NOS
Molecular Weight318.16 g/mol
Exact Mass316.97
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C9H11BrF3NOS/c1-14-8(2-15-5-9(11,12)13)6-3-16-4-7(6)10/h3-4,8,14H,2,5H2,1H3
InChIKeyZPYMIUWFIWCHDB-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215812) is 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ZPYMIUWFIWCHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NOS/c1-14-8(2-15-5-9(11,12)13)6-3-16-4-7(6)10/h3-4,8,14H,2,5H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 318.16 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).