2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C9H11BrF3NOS — CID 102843334

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1sc(C(CO)NCC(F)(F)F)cc1Br
InChIInChI=1S/C9H11BrF3NOS/c1-5-6(10)2-8(16-5)7(3-15)14-4-9(11,12)13/h2,7,14-15H,3-4H2,1H3
InChIKeyYCXBMZIZDMCPRA-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 102843334) has the molecular formula C9H11BrF3NOS and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID102843334
Molecular FormulaC9H11BrF3NOS
Molecular Weight318.16 g/mol
Exact Mass316.97
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1sc(C(CO)NCC(F)(F)F)cc1Br
InChIInChI=1S/C9H11BrF3NOS/c1-5-6(10)2-8(16-5)7(3-15)14-4-9(11,12)13/h2,7,14-15H,3-4H2,1H3
InChIKeyYCXBMZIZDMCPRA-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 102843334) is 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is Cc1sc(C(CO)NCC(F)(F)F)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is YCXBMZIZDMCPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NOS/c1-5-6(10)2-8(16-5)7(3-15)14-4-9(11,12)13/h2,7,14-15H,3-4H2,1H3.
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 318.16 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 102843334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).