5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole

C5H2F5NS — CID 153457622

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
SMILESFC(F)(F)C(F)(F)c1ccns1
InChIInChI=1S/C5H2F5NS/c6-4(7,5(8,9)10)3-1-2-11-12-3/h1-2H
InChIKeyLFBZRILSZYOYIF-UHFFFAOYSA-N
MW203.14 g/mol
LogP2.80
Rot. Bonds1

About 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole

5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole (PubChem CID 153457622) has the molecular formula C5H2F5NS and a molecular weight of 203.14 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
PubChem CID153457622
Molecular FormulaC5H2F5NS
Molecular Weight203.14 g/mol
Exact Mass202.98
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole
SMILESFC(F)(F)C(F)(F)c1ccns1
InChIInChI=1S/C5H2F5NS/c6-4(7,5(8,9)10)3-1-2-11-12-3/h1-2H
InChIKeyLFBZRILSZYOYIF-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole (CID 153457622) is 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole is FC(F)(F)C(F)(F)c1ccns1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
The InChIKey is LFBZRILSZYOYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F5NS/c6-4(7,5(8,9)10)3-1-2-11-12-3/h1-2H.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole?
5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole has a molecular weight of 203.14 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazole is sourced from PubChem (CID 153457622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).