1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol

C8H9F3O2S — CID 103216855

IUPAC1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H9F3O2S/c9-8(10,11)5-13-3-7(12)6-1-2-14-4-6/h1-2,4,7,12H,3,5H2
InChIKeyZBWRQFMRZMWTRM-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.36
Rot. Bonds4

About 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol

1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103216855) has the molecular formula C8H9F3O2S and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103216855
Molecular FormulaC8H9F3O2S
Molecular Weight226.22 g/mol
Exact Mass226.03
IUPAC Name1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H9F3O2S/c9-8(10,11)5-13-3-7(12)6-1-2-14-4-6/h1-2,4,7,12H,3,5H2
InChIKeyZBWRQFMRZMWTRM-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol (CID 103216855) is 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol is OC(COCC(F)(F)F)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is ZBWRQFMRZMWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2S/c9-8(10,11)5-13-3-7(12)6-1-2-14-4-6/h1-2,4,7,12H,3,5H2.
What are the key properties of 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol?
1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 226.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103216855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).