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

C9H12F3NOS — CID 61346981

IUPAC2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1ccc(C(CO)NCC(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-6-2-3-8(15-6)7(4-14)13-5-9(10,11)12/h2-3,7,13-14H,4-5H2,1H3
InChIKeyLNRHUNNJHDJMOM-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.24
Rot. Bonds4

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

2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 61346981) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID61346981
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1ccc(C(CO)NCC(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-6-2-3-8(15-6)7(4-14)13-5-9(10,11)12/h2-3,7,13-14H,4-5H2,1H3
InChIKeyLNRHUNNJHDJMOM-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346044
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345798
2,2-difluoro-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860525
2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962058
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)ethanol
CID 61345205
2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol
CID 61347760
N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207354
N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207180
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61047319
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 106818131

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 61346981) is 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is Cc1ccc(C(CO)NCC(F)(F)F)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is LNRHUNNJHDJMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-6-2-3-8(15-6)7(4-14)13-5-9(10,11)12/h2-3,7,13-14H,4-5H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 239.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 61346981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).