6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one

C12H9F3O4 — CID 134989458

IUPAC6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one
SMILESCOc1cc2oc(C(F)(F)F)cc(=O)c2cc1OC
InChIInChI=1S/C12H9F3O4/c1-17-9-3-6-7(16)4-11(12(13,14)15)19-8(6)5-10(9)18-2/h3-5H,1-2H3
InChIKeySPBXUGDIYPJBGJ-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.83
Rot. Bonds2

About 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one

6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one (PubChem CID 134989458) has the molecular formula C12H9F3O4 and a molecular weight of 274.19 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one
PubChem CID134989458
Molecular FormulaC12H9F3O4
Molecular Weight274.19 g/mol
Exact Mass274.05
IUPAC Name6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one
SMILESCOc1cc2oc(C(F)(F)F)cc(=O)c2cc1OC
InChIInChI=1S/C12H9F3O4/c1-17-9-3-6-7(16)4-11(12(13,14)15)19-8(6)5-10(9)18-2/h3-5H,1-2H3
InChIKeySPBXUGDIYPJBGJ-UHFFFAOYSA-N
XLogP2.83
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one (CID 134989458) is 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one is COc1cc2oc(C(F)(F)F)cc(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one?
The InChIKey is SPBXUGDIYPJBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O4/c1-17-9-3-6-7(16)4-11(12(13,14)15)19-8(6)5-10(9)18-2/h3-5H,1-2H3.
What are the key properties of 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one?
6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one has a molecular weight of 274.19 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 134989458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).