2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C8H9BrF3NOS — CID 61347386

IUPAC2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C8H9BrF3NOS/c9-5-1-7(15-3-5)6(2-14)13-4-8(10,11)12/h1,3,6,13-14H,2,4H2
InChIKeySEIXMUOSLRHWON-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 61347386) has the molecular formula C8H9BrF3NOS and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID61347386
Molecular FormulaC8H9BrF3NOS
Molecular Weight304.13 g/mol
Exact Mass302.95
IUPAC Name2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C8H9BrF3NOS/c9-5-1-7(15-3-5)6(2-14)13-4-8(10,11)12/h1,3,6,13-14H,2,4H2
InChIKeySEIXMUOSLRHWON-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

Ethanol, 1-(4-bromo-2-thienyl)-2-isopropylamino-
CID 3046798
2-(((4-Bromothiophen-2-yl)methyl)amino)ethan-1-ol hydrochloride
CID 86768069
2-(4-Bromothiophen-2-yl)-2-[(2,2,2-trifluoroethyl)amino]acetic acid
CID 56828534
2-{[1-(5-Bromothiophen-2-yl)ethyl]amino}ethan-1-ol
CID 61000307
2-{[(4-Bromothiophen-2-yl)methyl]amino}ethanol
CID 28833046
N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 55092916
N-[(4-bromothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732727
2-(5-Bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346044
2-Thiophen-2-yl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346381
2-(3-Methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346398
2-(5-Methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
3-[(5-Bromothiophen-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 61529658

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 61347386) is 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is OCC(NCC(F)(F)F)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is SEIXMUOSLRHWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NOS/c9-5-1-7(15-3-5)6(2-14)13-4-8(10,11)12/h1,3,6,13-14H,2,4H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(4-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-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 61347386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).