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

C5H2F5NS — CID 91318446

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole
SMILESFC(F)(F)C(F)(F)c1nccs1
InChIInChI=1S/C5H2F5NS/c6-4(7,5(8,9)10)3-11-1-2-12-3/h1-2H
InChIKeyVKMCSKJQFPRSMQ-UHFFFAOYSA-N
MW203.14 g/mol
LogP2.80
Rot. Bonds1

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

2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole (PubChem CID 91318446) has the molecular formula C5H2F5NS and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole
PubChem CID91318446
Molecular FormulaC5H2F5NS
Molecular Weight203.14 g/mol
Exact Mass202.98
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole
SMILESFC(F)(F)C(F)(F)c1nccs1
InChIInChI=1S/C5H2F5NS/c6-4(7,5(8,9)10)3-11-1-2-12-3/h1-2H
InChIKeyVKMCSKJQFPRSMQ-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 2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole (CID 91318446) is 2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole is FC(F)(F)C(F)(F)c1nccs1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole?
The InChIKey is VKMCSKJQFPRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F5NS/c6-4(7,5(8,9)10)3-11-1-2-12-3/h1-2H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole?
2-(1,1,2,2,2-pentafluoroethyl)-1,3-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 2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole is sourced from PubChem (CID 91318446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).