2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine

C21H16F3N — CID 11405038

IUPAC2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3)nc3c2CCC3)cc1
InChIInChI=1S/C21H16F3N/c22-21(23,24)16-11-9-14(10-12-16)18-13-20(15-5-2-1-3-6-15)25-19-8-4-7-17(18)19/h1-3,5-6,9-13H,4,7-8H2
InChIKeyFLDCVSYHVCMISM-UHFFFAOYSA-N
MW339.36 g/mol
LogP5.92
Rot. Bonds2

About 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine

2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 11405038) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID11405038
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccccc3)nc3c2CCC3)cc1
InChIInChI=1S/C21H16F3N/c22-21(23,24)16-11-9-14(10-12-16)18-13-20(15-5-2-1-3-6-15)25-19-8-4-7-17(18)19/h1-3,5-6,9-13H,4,7-8H2
InChIKeyFLDCVSYHVCMISM-UHFFFAOYSA-N
XLogP5.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Diphenylpyridine
CID 72920
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
2,6-bis[(E)-2-phenylethenyl]pyridine
CID 5899185
2,4,6-Triphenylpyridine
CID 136370
2-Methyl-4,6-diphenylpyridine
CID 618669
2-(4-(Trifluoromethyl)phenyl)-2-(6-(trifluoromethyl) pyridin-2-yl)acetonitrile (29)
CID 56604846
2,6-Diphenethylpyridine
CID 12429371
2,6-Bis(p-tolyl)pyridine
CID 84435
2-Tert-butyl-4,6-diphenyl-pyridine
CID 3299044
9,9-Difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine
CID 812348
1,2-Dimethyl-4,6-bis(4-methylphenyl)pyridin-1-ium
CID 3092033
1-Methyl-2,6-bis(2-phenylethyl)pyridin-1-ium
CID 11178961

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 11405038) is 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine is FC(F)(F)c1ccc(-c2cc(-c3ccccc3)nc3c2CCC3)cc1.
What is the InChIKey of 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is FLDCVSYHVCMISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N/c22-21(23,24)16-11-9-14(10-12-16)18-13-20(15-5-2-1-3-6-15)25-19-8-4-7-17(18)19/h1-3,5-6,9-13H,4,7-8H2.
What are the key properties of 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 339.36 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 11405038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).