2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

C12H16BrF3N2S — CID 60917678

IUPAC2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNCC(c1ccc(Br)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16BrF3N2S/c13-11-4-3-10(19-11)9(6-17)18-5-1-2-8(7-18)12(14,15)16/h3-4,8-9H,1-2,5-7,17H2
InChIKeyFGMWKFXLXBAGES-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.78
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (PubChem CID 60917678) has the molecular formula C12H16BrF3N2S and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
PubChem CID60917678
Molecular FormulaC12H16BrF3N2S
Molecular Weight357.24 g/mol
Exact Mass356.02
IUPAC Name2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNCC(c1ccc(Br)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16BrF3N2S/c13-11-4-3-10(19-11)9(6-17)18-5-1-2-8(7-18)12(14,15)16/h3-4,8-9H,1-2,5-7,17H2
InChIKeyFGMWKFXLXBAGES-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (CID 60917678) is 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is NCC(c1ccc(Br)s1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The InChIKey is FGMWKFXLXBAGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2S/c13-11-4-3-10(19-11)9(6-17)18-5-1-2-8(7-18)12(14,15)16/h3-4,8-9H,1-2,5-7,17H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine has a molecular weight of 357.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 60917678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).