1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol

C9H12F3NO2S — CID 106435353

IUPAC1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
SMILESOC(CNCCOC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H12F3NO2S/c10-9(11,12)15-3-2-13-5-8(14)7-1-4-16-6-7/h1,4,6,8,13-14H,2-3,5H2
InChIKeyYIYOLCWGXCJPQA-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.91
Rot. Bonds6

About 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol

1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol (PubChem CID 106435353) has the molecular formula C9H12F3NO2S and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol.

Molecular Properties

Compound Name1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
PubChem CID106435353
Molecular FormulaC9H12F3NO2S
Molecular Weight255.26 g/mol
Exact Mass255.05
IUPAC Name1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
SMILESOC(CNCCOC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H12F3NO2S/c10-9(11,12)15-3-2-13-5-8(14)7-1-4-16-6-7/h1,4,6,8,13-14H,2-3,5H2
InChIKeyYIYOLCWGXCJPQA-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435055
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 103685294
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol?
The IUPAC name of 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol (CID 106435353) is 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol.
What is the SMILES notation for 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol?
The canonical SMILES for 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol is OC(CNCCOC(F)(F)F)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol?
The InChIKey is YIYOLCWGXCJPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c10-9(11,12)15-3-2-13-5-8(14)7-1-4-16-6-7/h1,4,6,8,13-14H,2-3,5H2.
What are the key properties of 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol?
1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol has a molecular weight of 255.26 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol is sourced from PubChem (CID 106435353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).