2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium

C16H11F3Zr — CID 174374188

IUPAC2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium
SMILESFC(F)(F)c1ccc(C2=Cc3ccccc3C2)cc1.[Zr]
InChIInChI=1S/C16H11F3.Zr/c17-16(18,19)15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;/h1-9H,10H2;
InChIKeyUVWROHPOLFOSAD-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.80
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium

2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium (PubChem CID 174374188) has the molecular formula C16H11F3Zr and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium
PubChem CID174374188
Molecular FormulaC16H11F3Zr
Molecular Weight351.48 g/mol
Exact Mass349.99
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium
SMILESFC(F)(F)c1ccc(C2=Cc3ccccc3C2)cc1.[Zr]
InChIInChI=1S/C16H11F3.Zr/c17-16(18,19)15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;/h1-9H,10H2;
InChIKeyUVWROHPOLFOSAD-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium (CID 174374188) is 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium is FC(F)(F)c1ccc(C2=Cc3ccccc3C2)cc1.[Zr].
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium?
The InChIKey is UVWROHPOLFOSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3.Zr/c17-16(18,19)15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;/h1-9H,10H2;.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium?
2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium has a molecular weight of 351.48 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium is sourced from PubChem (CID 174374188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).