2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H13BrF3NS — CID 115258164

IUPAC2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)(CNCC(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C10H13BrF3NS/c1-9(2,5-15-6-10(12,13)14)8-3-7(11)4-16-8/h3-4,15H,5-6H2,1-2H3
InChIKeyVORINLCGBQGVFG-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.94
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 115258164) has the molecular formula C10H13BrF3NS and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID115258164
Molecular FormulaC10H13BrF3NS
Molecular Weight316.19 g/mol
Exact Mass314.99
IUPAC Name2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)(CNCC(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C10H13BrF3NS/c1-9(2,5-15-6-10(12,13)14)8-3-7(11)4-16-8/h3-4,15H,5-6H2,1-2H3
InChIKeyVORINLCGBQGVFG-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 115258164) is 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)(CNCC(F)(F)F)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is VORINLCGBQGVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NS/c1-9(2,5-15-6-10(12,13)14)8-3-7(11)4-16-8/h3-4,15H,5-6H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 316.19 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 115258164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).