7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine

C20H12F3NO — CID 66779860

IUPAC7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine
SMILESFC(F)(F)c1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1
InChIInChI=1S/C20H12F3NO/c21-20(22,23)15-8-4-7-14(11-15)18-12-17-19(25-18)16(9-10-24-17)13-5-2-1-3-6-13/h1-12H
InChIKeyMLLDWISJMGMPLT-UHFFFAOYSA-N
MW339.32 g/mol
LogP6.18
Rot. Bonds2

About 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine

7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine (PubChem CID 66779860) has the molecular formula C20H12F3NO and a molecular weight of 339.32 g/mol. Its IUPAC name is 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine
PubChem CID66779860
Molecular FormulaC20H12F3NO
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine
SMILESFC(F)(F)c1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1
InChIInChI=1S/C20H12F3NO/c21-20(22,23)15-8-4-7-14(11-15)18-12-17-19(25-18)16(9-10-24-17)13-5-2-1-3-6-13/h1-12H
InChIKeyMLLDWISJMGMPLT-UHFFFAOYSA-N
XLogP6.18
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine?
The IUPAC name of 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine (CID 66779860) is 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine.
What is the SMILES notation for 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine?
The canonical SMILES for 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine is FC(F)(F)c1cccc(-c2cc3nccc(-c4ccccc4)c3o2)c1.
What is the InChIKey of 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine?
The InChIKey is MLLDWISJMGMPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO/c21-20(22,23)15-8-4-7-14(11-15)18-12-17-19(25-18)16(9-10-24-17)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine?
7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine has a molecular weight of 339.32 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 66779860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).