1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione

C17H14F3NO3 — CID 70686012

IUPAC1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1cccc(C(F)(F)F)c1)c2=O
InChIInChI=1S/C17H14F3NO3/c1-16(2)12-6-7-21(14(22)13(12)15(23)24-16)9-10-4-3-5-11(8-10)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyMVGNDKWQCBFHMZ-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.32
Rot. Bonds2

About 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione

1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione (PubChem CID 70686012) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione
PubChem CID70686012
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1cccc(C(F)(F)F)c1)c2=O
InChIInChI=1S/C17H14F3NO3/c1-16(2)12-6-7-21(14(22)13(12)15(23)24-16)9-10-4-3-5-11(8-10)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyMVGNDKWQCBFHMZ-UHFFFAOYSA-N
XLogP3.32
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione (CID 70686012) is 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(Cc1cccc(C(F)(F)F)c1)c2=O.
What is the InChIKey of 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione?
The InChIKey is MVGNDKWQCBFHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c1-16(2)12-6-7-21(14(22)13(12)15(23)24-16)9-10-4-3-5-11(8-10)17(18,19)20/h3-8H,9H2,1-2H3.
What are the key properties of 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione?
1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione has a molecular weight of 337.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70686012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).