3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine

C22H18F3NO — CID 46187825

IUPAC3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine
SMILESCc1ccc(-c2cc3c(c(C(F)(F)F)n2)C(C)(c2ccccc2)OC3)cc1
InChIInChI=1S/C22H18F3NO/c1-14-8-10-15(11-9-14)18-12-16-13-27-21(2,17-6-4-3-5-7-17)19(16)20(26-18)22(23,24)25/h3-12H,13H2,1-2H3
InChIKeyHFFMBKQTQOOFIJ-UHFFFAOYSA-N
MW369.39 g/mol
LogP5.87
Rot. Bonds2

About 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine

3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine (PubChem CID 46187825) has the molecular formula C22H18F3NO and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine
PubChem CID46187825
Molecular FormulaC22H18F3NO
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine
SMILESCc1ccc(-c2cc3c(c(C(F)(F)F)n2)C(C)(c2ccccc2)OC3)cc1
InChIInChI=1S/C22H18F3NO/c1-14-8-10-15(11-9-14)18-12-16-13-27-21(2,17-6-4-3-5-7-17)19(16)20(26-18)22(23,24)25/h3-12H,13H2,1-2H3
InChIKeyHFFMBKQTQOOFIJ-UHFFFAOYSA-N
XLogP5.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine?
The IUPAC name of 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine (CID 46187825) is 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine.
What is the SMILES notation for 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine?
The canonical SMILES for 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine is Cc1ccc(-c2cc3c(c(C(F)(F)F)n2)C(C)(c2ccccc2)OC3)cc1.
What is the InChIKey of 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine?
The InChIKey is HFFMBKQTQOOFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO/c1-14-8-10-15(11-9-14)18-12-16-13-27-21(2,17-6-4-3-5-7-17)19(16)20(26-18)22(23,24)25/h3-12H,13H2,1-2H3.
What are the key properties of 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine?
3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine has a molecular weight of 369.39 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 46187825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).