1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone

C7H4F5NOS — CID 126498062

IUPAC1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H4F5NOS/c1-3(14)4-2-15-5(13-4)6(8,9)7(10,11)12/h2H,1H3
InChIKeyMNJFVJHLGLZKGG-UHFFFAOYSA-N
MW245.17 g/mol
LogP3.00
Rot. Bonds2

About 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone

1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 126498062) has the molecular formula C7H4F5NOS and a molecular weight of 245.17 g/mol. Its IUPAC name is 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID126498062
Molecular FormulaC7H4F5NOS
Molecular Weight245.17 g/mol
Exact Mass244.99
IUPAC Name1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H4F5NOS/c1-3(14)4-2-15-5(13-4)6(8,9)7(10,11)12/h2H,1H3
InChIKeyMNJFVJHLGLZKGG-UHFFFAOYSA-N
XLogP3.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone (CID 126498062) is 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is MNJFVJHLGLZKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NOS/c1-3(14)4-2-15-5(13-4)6(8,9)7(10,11)12/h2H,1H3.
What are the key properties of 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 245.17 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).