7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione

C10H5F3O4 — CID 1490747

IUPAC7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione
SMILESCc1cc2oc(C(F)(F)F)cc(=O)c2c(=O)o1
InChIInChI=1S/C10H5F3O4/c1-4-2-6-8(9(15)16-4)5(14)3-7(17-6)10(11,12)13/h2-3H,1H3
InChIKeyBLHHNNNDFACHNV-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.07
Rot. Bonds

About 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione

7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione (PubChem CID 1490747) has the molecular formula C10H5F3O4 and a molecular weight of 246.14 g/mol. Its IUPAC name is 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione.

Molecular Properties

Compound Name7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione
PubChem CID1490747
Molecular FormulaC10H5F3O4
Molecular Weight246.14 g/mol
Exact Mass246.01
IUPAC Name7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione
SMILESCc1cc2oc(C(F)(F)F)cc(=O)c2c(=O)o1
InChIInChI=1S/C10H5F3O4/c1-4-2-6-8(9(15)16-4)5(14)3-7(17-6)10(11,12)13/h2-3H,1H3
InChIKeyBLHHNNNDFACHNV-UHFFFAOYSA-N
XLogP2.07
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione?
The IUPAC name of 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione (CID 1490747) is 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione.
What is the SMILES notation for 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione?
The canonical SMILES for 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione is Cc1cc2oc(C(F)(F)F)cc(=O)c2c(=O)o1.
What is the InChIKey of 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione?
The InChIKey is BLHHNNNDFACHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O4/c1-4-2-6-8(9(15)16-4)5(14)3-7(17-6)10(11,12)13/h2-3H,1H3.
What are the key properties of 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione?
7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione has a molecular weight of 246.14 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(trifluoromethyl)pyrano[3,2-c]pyran-4,5-dione is sourced from PubChem (CID 1490747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).