2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C8H9BrF3NOS — CID 61346044

IUPAC2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H9BrF3NOS/c9-7-2-1-6(15-7)5(3-14)13-4-8(10,11)12/h1-2,5,13-14H,3-4H2
InChIKeyMYZIMOQNEFFORM-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.70
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 61346044) has the molecular formula C8H9BrF3NOS and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID61346044
Molecular FormulaC8H9BrF3NOS
Molecular Weight304.13 g/mol
Exact Mass302.95
IUPAC Name2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H9BrF3NOS/c9-7-2-1-6(15-7)5(3-14)13-4-8(10,11)12/h1-2,5,13-14H,3-4H2
InChIKeyMYZIMOQNEFFORM-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol
CID 61346045
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene
CID 61098417
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104579922
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091
N-[1-(5-bromothiophen-2-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 81343374
3-[1-(5-bromothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 115712100
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61047319
2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61044931

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 61346044) is 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is OCC(NCC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is MYZIMOQNEFFORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NOS/c9-7-2-1-6(15-7)5(3-14)13-4-8(10,11)12/h1-2,5,13-14H,3-4H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 304.13 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 61346044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).