7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione

C12H11F3O3 — CID 15495700

IUPAC7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione
SMILESCC1(C)CC(=O)c2c(oc(C(F)(F)F)cc2=O)C1
InChIInChI=1S/C12H11F3O3/c1-11(2)4-7(17)10-6(16)3-9(12(13,14)15)18-8(10)5-11/h3H,4-5H2,1-2H3
InChIKeyPJFGTVIRMRFKML-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.81
Rot. Bonds

About 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione

7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione (PubChem CID 15495700) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione
PubChem CID15495700
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione
SMILESCC1(C)CC(=O)c2c(oc(C(F)(F)F)cc2=O)C1
InChIInChI=1S/C12H11F3O3/c1-11(2)4-7(17)10-6(16)3-9(12(13,14)15)18-8(10)5-11/h3H,4-5H2,1-2H3
InChIKeyPJFGTVIRMRFKML-UHFFFAOYSA-N
XLogP2.81
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione?
The IUPAC name of 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione (CID 15495700) is 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione.
What is the SMILES notation for 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione?
The canonical SMILES for 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione is CC1(C)CC(=O)c2c(oc(C(F)(F)F)cc2=O)C1.
What is the InChIKey of 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione?
The InChIKey is PJFGTVIRMRFKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3/c1-11(2)4-7(17)10-6(16)3-9(12(13,14)15)18-8(10)5-11/h3H,4-5H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione?
7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione has a molecular weight of 260.21 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydrochromene-4,5-dione is sourced from PubChem (CID 15495700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).