4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine

C21H16F3N — CID 162537238

IUPAC4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C21H16F3N/c22-21(23,24)16-11-9-15(10-12-16)20-18-8-4-7-17(18)19(13-25-20)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2
InChIKeyWIHFNMBSPZQTEZ-UHFFFAOYSA-N
MW339.36 g/mol
LogP5.92
Rot. Bonds2

About 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine

4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 162537238) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID162537238
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C21H16F3N/c22-21(23,24)16-11-9-15(10-12-16)20-18-8-4-7-17(18)19(13-25-20)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2
InChIKeyWIHFNMBSPZQTEZ-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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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 162537238) is 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine is FC(F)(F)c1ccc(-c2ncc(-c3ccccc3)c3c2CCC3)cc1.
What is the InChIKey of 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is WIHFNMBSPZQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N/c22-21(23,24)16-11-9-15(10-12-16)20-18-8-4-7-17(18)19(13-25-20)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2.
What are the key properties of 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine?
4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]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 4-phenyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 162537238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).