2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine

C21H16F3NO — CID 70202217

IUPAC2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc(C3=CCC4=C3CCC=C4)cc2)nc1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)16-8-12-20(25-13-16)26-17-9-5-15(6-10-17)19-11-7-14-3-1-2-4-18(14)19/h1,3,5-6,8-13H,2,4,7H2
InChIKeyLGSQMFNKHJCRQK-UHFFFAOYSA-N
MW355.36 g/mol
LogP6.33
Rot. Bonds3

About 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine

2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine (PubChem CID 70202217) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine
PubChem CID70202217
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc(C3=CCC4=C3CCC=C4)cc2)nc1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)16-8-12-20(25-13-16)26-17-9-5-15(6-10-17)19-11-7-14-3-1-2-4-18(14)19/h1,3,5-6,8-13H,2,4,7H2
InChIKeyLGSQMFNKHJCRQK-UHFFFAOYSA-N
XLogP6.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine (CID 70202217) is 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Oc2ccc(C3=CCC4=C3CCC=C4)cc2)nc1.
What is the InChIKey of 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is LGSQMFNKHJCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO/c22-21(23,24)16-8-12-20(25-13-16)26-17-9-5-15(6-10-17)19-11-7-14-3-1-2-4-18(14)19/h1,3,5-6,8-13H,2,4,7H2.
What are the key properties of 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine?
2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 355.36 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 70202217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).