2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C8H8Br2F3NOS — CID 102843336

IUPAC2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H8Br2F3NOS/c9-4-1-6(16-7(4)10)5(2-15)14-3-8(11,12)13/h1,5,14-15H,2-3H2
InChIKeyHRQNRHHOLQFRSM-UHFFFAOYSA-N
MW383.03 g/mol
LogP3.46
Rot. Bonds4

About 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 102843336) has the molecular formula C8H8Br2F3NOS and a molecular weight of 383.03 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID102843336
Molecular FormulaC8H8Br2F3NOS
Molecular Weight383.03 g/mol
Exact Mass380.86
IUPAC Name2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H8Br2F3NOS/c9-4-1-6(16-7(4)10)5(2-15)14-3-8(11,12)13/h1,5,14-15H,2-3H2
InChIKeyHRQNRHHOLQFRSM-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.03
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 102843336) is 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is OCC(NCC(F)(F)F)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is HRQNRHHOLQFRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2F3NOS/c9-4-1-6(16-7(4)10)5(2-15)14-3-8(11,12)13/h1,5,14-15H,2-3H2.
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 383.03 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 102843336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).