2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine

C20H8F5N — CID 138459115

IUPAC2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine
SMILESFc1cc2cc(C#Cc3ccccn3)ccc2c(F)c1C#CC(F)(F)F
InChIInChI=1S/C20H8F5N/c21-18-12-14-11-13(4-6-15-3-1-2-10-26-15)5-7-16(14)19(22)17(18)8-9-20(23,24)25/h1-3,5,7,10-12H
InChIKeyKGLIIPYNCQMOGJ-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.83
Rot. Bonds

About 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine

2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine (PubChem CID 138459115) has the molecular formula C20H8F5N and a molecular weight of 357.28 g/mol. Its IUPAC name is 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine
PubChem CID138459115
Molecular FormulaC20H8F5N
Molecular Weight357.28 g/mol
Exact Mass357.06
IUPAC Name2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine
SMILESFc1cc2cc(C#Cc3ccccn3)ccc2c(F)c1C#CC(F)(F)F
InChIInChI=1S/C20H8F5N/c21-18-12-14-11-13(4-6-15-3-1-2-10-26-15)5-7-16(14)19(22)17(18)8-9-20(23,24)25/h1-3,5,7,10-12H
InChIKeyKGLIIPYNCQMOGJ-UHFFFAOYSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine?
The IUPAC name of 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine (CID 138459115) is 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine.
What is the SMILES notation for 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine?
The canonical SMILES for 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine is Fc1cc2cc(C#Cc3ccccn3)ccc2c(F)c1C#CC(F)(F)F.
What is the InChIKey of 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine?
The InChIKey is KGLIIPYNCQMOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8F5N/c21-18-12-14-11-13(4-6-15-3-1-2-10-26-15)5-7-16(14)19(22)17(18)8-9-20(23,24)25/h1-3,5,7,10-12H.
What are the key properties of 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine?
2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine has a molecular weight of 357.28 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyridine is sourced from PubChem (CID 138459115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).