1,3-diphenyl-1-(trifluoromethyl)indene

C22H15F3 — CID 137346219

IUPAC1,3-diphenyl-1-(trifluoromethyl)indene
SMILESFC(F)(F)C1(c2ccccc2)C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H15F3/c23-22(24,25)21(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)21/h1-15H
InChIKeyZOQYLMUVQZZCHL-UHFFFAOYSA-N
MW336.36 g/mol
LogP5.98
Rot. Bonds2

About 1,3-diphenyl-1-(trifluoromethyl)indene

1,3-diphenyl-1-(trifluoromethyl)indene (PubChem CID 137346219) has the molecular formula C22H15F3 and a molecular weight of 336.36 g/mol. Its IUPAC name is 1,3-diphenyl-1-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,3-diphenyl-1-(trifluoromethyl)indene
PubChem CID137346219
Molecular FormulaC22H15F3
Molecular Weight336.36 g/mol
Exact Mass336.11
IUPAC Name1,3-diphenyl-1-(trifluoromethyl)indene
SMILESFC(F)(F)C1(c2ccccc2)C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H15F3/c23-22(24,25)21(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)21/h1-15H
InChIKeyZOQYLMUVQZZCHL-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.36
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-1-(trifluoromethyl)indene?
The IUPAC name of 1,3-diphenyl-1-(trifluoromethyl)indene (CID 137346219) is 1,3-diphenyl-1-(trifluoromethyl)indene.
What is the SMILES notation for 1,3-diphenyl-1-(trifluoromethyl)indene?
The canonical SMILES for 1,3-diphenyl-1-(trifluoromethyl)indene is FC(F)(F)C1(c2ccccc2)C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1,3-diphenyl-1-(trifluoromethyl)indene?
The InChIKey is ZOQYLMUVQZZCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3/c23-22(24,25)21(17-11-5-2-6-12-17)15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)21/h1-15H.
What are the key properties of 1,3-diphenyl-1-(trifluoromethyl)indene?
1,3-diphenyl-1-(trifluoromethyl)indene has a molecular weight of 336.36 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-1-(trifluoromethyl)indene is sourced from PubChem (CID 137346219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).