(1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione

C16H10F3NO3 — CID 155555350

IUPAC(1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F3NO3/c1-8-6-10-12(23-15(22)13(10)14(21)20-8)7-9-4-2-3-5-11(9)16(17,18)19/h2-7H,1H3,(H,20,21)/b12-7-
InChIKeyJUHCEFNWTDOUPY-GHXNOFRVSA-N
MW321.25 g/mol
LogP3.37
Rot. Bonds1

About (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione

(1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 155555350) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID155555350
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name(1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F3NO3/c1-8-6-10-12(23-15(22)13(10)14(21)20-8)7-9-4-2-3-5-11(9)16(17,18)19/h2-7H,1H3,(H,20,21)/b12-7-
InChIKeyJUHCEFNWTDOUPY-GHXNOFRVSA-N
XLogP3.37
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione (CID 155555350) is (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccccc1C(F)(F)F.
What is the InChIKey of (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is JUHCEFNWTDOUPY-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H10F3NO3/c1-8-6-10-12(23-15(22)13(10)14(21)20-8)7-9-4-2-3-5-11(9)16(17,18)19/h2-7H,1H3,(H,20,21)/b12-7-.
What are the key properties of (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 321.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6-methyl-1-[[2-(trifluoromethyl)phenyl]methylidene]-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155555350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).