2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one

C6H2F5NOS — CID 130688334

IUPAC2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one
SMILESO=C(c1cscn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F5NOS/c7-5(8,6(9,10)11)4(13)3-1-14-2-12-3/h1-2H
InChIKeyJYYPNGAGPUAPQT-UHFFFAOYSA-N
MW231.15 g/mol
LogP2.52
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one

2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 130688334) has the molecular formula C6H2F5NOS and a molecular weight of 231.15 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one
PubChem CID130688334
Molecular FormulaC6H2F5NOS
Molecular Weight231.15 g/mol
Exact Mass230.98
IUPAC Name2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one
SMILESO=C(c1cscn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F5NOS/c7-5(8,6(9,10)11)4(13)3-1-14-2-12-3/h1-2H
InChIKeyJYYPNGAGPUAPQT-UHFFFAOYSA-N
XLogP2.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.52
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 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one (CID 130688334) is 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one is O=C(c1cscn1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is JYYPNGAGPUAPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5NOS/c7-5(8,6(9,10)11)4(13)3-1-14-2-12-3/h1-2H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one?
2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 231.15 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 130688334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).