5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one

C13H9F3O3 — CID 161272821

IUPAC5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one
SMILESCC(=O)c1c(C)ccc2oc(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C13H9F3O3/c1-6-3-4-9-12(11(6)7(2)17)8(18)5-10(19-9)13(14,15)16/h3-5H,1-2H3
InChIKeyZCVDHEWZZDQPHV-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.32
Rot. Bonds1

About 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one

5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one (PubChem CID 161272821) has the molecular formula C13H9F3O3 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one
PubChem CID161272821
Molecular FormulaC13H9F3O3
Molecular Weight270.21 g/mol
Exact Mass270.05
IUPAC Name5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one
SMILESCC(=O)c1c(C)ccc2oc(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C13H9F3O3/c1-6-3-4-9-12(11(6)7(2)17)8(18)5-10(19-9)13(14,15)16/h3-5H,1-2H3
InChIKeyZCVDHEWZZDQPHV-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one (CID 161272821) is 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one is CC(=O)c1c(C)ccc2oc(C(F)(F)F)cc(=O)c12.
What is the InChIKey of 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one?
The InChIKey is ZCVDHEWZZDQPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O3/c1-6-3-4-9-12(11(6)7(2)17)8(18)5-10(19-9)13(14,15)16/h3-5H,1-2H3.
What are the key properties of 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one?
5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one has a molecular weight of 270.21 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 161272821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).