2-(1,2,2-trifluoroethyl)-1,3-thiazole

C5H4F3NS — CID 175278433

IUPAC2-(1,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)C(F)c1nccs1
InChIInChI=1S/C5H4F3NS/c6-3(4(7)8)5-9-1-2-10-5/h1-4H
InChIKeyQWBYTTNUOUFBSA-UHFFFAOYSA-N
MW167.16 g/mol
LogP2.42
Rot. Bonds2

About 2-(1,2,2-trifluoroethyl)-1,3-thiazole

2-(1,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 175278433) has the molecular formula C5H4F3NS and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(1,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID175278433
Molecular FormulaC5H4F3NS
Molecular Weight167.16 g/mol
Exact Mass167.00
IUPAC Name2-(1,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)C(F)c1nccs1
InChIInChI=1S/C5H4F3NS/c6-3(4(7)8)5-9-1-2-10-5/h1-4H
InChIKeyQWBYTTNUOUFBSA-UHFFFAOYSA-N
XLogP2.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 2-(1,2,2-trifluoroethyl)-1,3-thiazole (CID 175278433) is 2-(1,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 2-(1,2,2-trifluoroethyl)-1,3-thiazole is FC(F)C(F)c1nccs1.
What is the InChIKey of 2-(1,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is QWBYTTNUOUFBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS/c6-3(4(7)8)5-9-1-2-10-5/h1-4H.
What are the key properties of 2-(1,2,2-trifluoroethyl)-1,3-thiazole?
2-(1,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 167.16 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 175278433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).