(1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene

C₂₂H₁₅F₃O — CID 134949027

About (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene

(1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene (PubChem CID 134949027) has the molecular formula C₂₂H₁₅F₃O and a molecular weight of 352.36 g/mol. Its IUPAC name is (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene.

Molecular Properties

• Compound Name: (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene
• PubChem CID: 134949027
• Molecular Formula: C₂₂H₁₅F₃O
• Molecular Weight: 352.36 g/mol
• Exact Mass: 352.11
• IUPAC Name: (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene
• SMILES: FC(F)(F)c1ccc(-c2ccc3c(c2)[C@H](c2ccccc2)OC=C3)cc1
• InChI: InChI=1S/C22H15F3O/c23-22(24,25)19-10-8-15(9-11-19)18-7-6-16-12-13-26-21(20(16)14-18)17-4-2-1-3-5-17/h1-14,21H/t21-/m0/s1
• InChIKey: HYGOPBGJUSEKKJ-NRFANRHFSA-N
• XLogP: 6.46
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.36
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene?

The IUPAC name of (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene (CID 134949027) is (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene.

What is the SMILES notation for (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene?

The canonical SMILES for (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene is FC(F)(F)c1ccc(-c2ccc3c(c2)[C@H](c2ccccc2)OC=C3)cc1.

What is the InChIKey of (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene?

The InChIKey is HYGOPBGJUSEKKJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H15F3O/c23-22(24,25)19-10-8-15(9-11-19)18-7-6-16-12-13-26-21(20(16)14-18)17-4-2-1-3-5-17/h1-14,21H/t21-/m0/s1.

What are the key properties of (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene?

(1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene has a molecular weight of 352.36 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-phenyl-7-[4-(trifluoromethyl)phenyl]-1H-isochromene is sourced from PubChem (CID 134949027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134949027 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.