3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole

C7H5F3N2S — CID 90974413

IUPAC3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole
SMILESFC(F)(F)Cc1[nH]nc2sccc12
InChIInChI=1S/C7H5F3N2S/c8-7(9,10)3-5-4-1-2-13-6(4)12-11-5/h1-2H,3H2,(H,11,12)
InChIKeyNKXIOMJXMGBRHI-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.73
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole

3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole (PubChem CID 90974413) has the molecular formula C7H5F3N2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole
PubChem CID90974413
Molecular FormulaC7H5F3N2S
Molecular Weight206.19 g/mol
Exact Mass206.01
IUPAC Name3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole
SMILESFC(F)(F)Cc1[nH]nc2sccc12
InChIInChI=1S/C7H5F3N2S/c8-7(9,10)3-5-4-1-2-13-6(4)12-11-5/h1-2H,3H2,(H,11,12)
InChIKeyNKXIOMJXMGBRHI-UHFFFAOYSA-N
XLogP2.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole (CID 90974413) is 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole is FC(F)(F)Cc1[nH]nc2sccc12.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole?
The InChIKey is NKXIOMJXMGBRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2S/c8-7(9,10)3-5-4-1-2-13-6(4)12-11-5/h1-2H,3H2,(H,11,12).
What are the key properties of 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole?
3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole has a molecular weight of 206.19 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-2H-thieno[2,3-c]pyrazole is sourced from PubChem (CID 90974413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).