1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol

C6H3Cl2F3OS — CID 61081026

IUPAC1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc(Cl)sc1Cl)C(F)(F)F
InChIInChI=1S/C6H3Cl2F3OS/c7-3-1-2(5(8)13-3)4(12)6(9,10)11/h1,4,12H
InChIKeyGBGXPSHTFOGJDG-UHFFFAOYSA-N
MW251.06 g/mol
LogP3.65
Rot. Bonds1

About 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol

1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol (PubChem CID 61081026) has the molecular formula C6H3Cl2F3OS and a molecular weight of 251.06 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol
PubChem CID61081026
Molecular FormulaC6H3Cl2F3OS
Molecular Weight251.06 g/mol
Exact Mass249.92
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc(Cl)sc1Cl)C(F)(F)F
InChIInChI=1S/C6H3Cl2F3OS/c7-3-1-2(5(8)13-3)4(12)6(9,10)11/h1,4,12H
InChIKeyGBGXPSHTFOGJDG-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.06
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol (CID 61081026) is 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol is OC(c1cc(Cl)sc1Cl)C(F)(F)F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol?
The InChIKey is GBGXPSHTFOGJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3OS/c7-3-1-2(5(8)13-3)4(12)6(9,10)11/h1,4,12H.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol?
1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol has a molecular weight of 251.06 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 61081026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).