4-(2,2,2-trifluoroethyl)-1,3-thiazole

C5H4F3NS — CID 66766889

IUPAC4-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1cscn1
InChIInChI=1S/C5H4F3NS/c6-5(7,8)1-4-2-10-3-9-4/h2-3H,1H2
InChIKeyWUNVSLJYAPWART-UHFFFAOYSA-N
MW167.16 g/mol
LogP2.25
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1,3-thiazole

4-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 66766889) has the molecular formula C5H4F3NS and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID66766889
Molecular FormulaC5H4F3NS
Molecular Weight167.16 g/mol
Exact Mass167.00
IUPAC Name4-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1cscn1
InChIInChI=1S/C5H4F3NS/c6-5(7,8)1-4-2-10-3-9-4/h2-3H,1H2
InChIKeyWUNVSLJYAPWART-UHFFFAOYSA-N
XLogP2.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 66766889) is 4-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,3-thiazole is FC(F)(F)Cc1cscn1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is WUNVSLJYAPWART-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS/c6-5(7,8)1-4-2-10-3-9-4/h2-3H,1H2.
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 167.16 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 66766889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).