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

C6H6FNOS — CID 84764107

IUPAC1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CF)n1
InChIInChI=1S/C6H6FNOS/c1-4(9)5-3-10-6(2-7)8-5/h3H,2H2,1H3
InChIKeyGQHKMGKKRBOPNF-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.82
Rot. Bonds2

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

1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 84764107) has the molecular formula C6H6FNOS and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID84764107
Molecular FormulaC6H6FNOS
Molecular Weight159.18 g/mol
Exact Mass159.02
IUPAC Name1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CF)n1
InChIInChI=1S/C6H6FNOS/c1-4(9)5-3-10-6(2-7)8-5/h3H,2H2,1H3
InChIKeyGQHKMGKKRBOPNF-UHFFFAOYSA-N
XLogP1.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone (CID 84764107) is 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(CF)n1.
What is the InChIKey of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is GQHKMGKKRBOPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNOS/c1-4(9)5-3-10-6(2-7)8-5/h3H,2H2,1H3.
What are the key properties of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 159.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 84764107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).