2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one

C9H4F3NOS — CID 130501238

IUPAC2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2c(F)cc(F)cc2F)=N1
InChIInChI=1S/C9H4F3NOS/c10-4-1-5(11)8(6(12)2-4)9-13-7(14)3-15-9/h1-2H,3H2
InChIKeyMGNOOZWOMRJNIY-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.12
Rot. Bonds1

About 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one

2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one (PubChem CID 130501238) has the molecular formula C9H4F3NOS and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one
PubChem CID130501238
Molecular FormulaC9H4F3NOS
Molecular Weight231.20 g/mol
Exact Mass231.00
IUPAC Name2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2c(F)cc(F)cc2F)=N1
InChIInChI=1S/C9H4F3NOS/c10-4-1-5(11)8(6(12)2-4)9-13-7(14)3-15-9/h1-2H,3H2
InChIKeyMGNOOZWOMRJNIY-UHFFFAOYSA-N
XLogP2.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one?
The IUPAC name of 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one (CID 130501238) is 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one is O=C1CSC(c2c(F)cc(F)cc2F)=N1.
What is the InChIKey of 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one?
The InChIKey is MGNOOZWOMRJNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NOS/c10-4-1-5(11)8(6(12)2-4)9-13-7(14)3-15-9/h1-2H,3H2.
What are the key properties of 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one?
2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one has a molecular weight of 231.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 130501238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).