2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C9H11BrF3NOS — CID 66275634

IUPAC2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OC(CN)c1cc(Br)cs1)C(F)(F)F
InChIInChI=1S/C9H11BrF3NOS/c1-5(9(11,12)13)15-7(3-14)8-2-6(10)4-16-8/h2,4-5,7H,3,14H2,1H3
InChIKeyJJTKYEIKOJHVQU-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.48
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66275634) has the molecular formula C9H11BrF3NOS and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66275634
Molecular FormulaC9H11BrF3NOS
Molecular Weight318.16 g/mol
Exact Mass316.97
IUPAC Name2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OC(CN)c1cc(Br)cs1)C(F)(F)F
InChIInChI=1S/C9H11BrF3NOS/c1-5(9(11,12)13)15-7(3-14)8-2-6(10)4-16-8/h2,4-5,7H,3,14H2,1H3
InChIKeyJJTKYEIKOJHVQU-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine 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 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66275634) is 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CC(OC(CN)c1cc(Br)cs1)C(F)(F)F.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is JJTKYEIKOJHVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NOS/c1-5(9(11,12)13)15-7(3-14)8-2-6(10)4-16-8/h2,4-5,7H,3,14H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 318.16 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66275634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).