3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene

C17H15F3 — CID 59658583

IUPAC3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene
SMILESCc1ccc(C2Cc3ccc(C)c(F)c3C2(F)F)cc1
InChIInChI=1S/C17H15F3/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)16(18)15(13)17(14,19)20/h3-8,14H,9H2,1-2H3
InChIKeyTVPURTQPROPADD-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.87
Rot. Bonds1

About 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene

3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene (PubChem CID 59658583) has the molecular formula C17H15F3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene.

Molecular Properties

Compound Name3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene
PubChem CID59658583
Molecular FormulaC17H15F3
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene
SMILESCc1ccc(C2Cc3ccc(C)c(F)c3C2(F)F)cc1
InChIInChI=1S/C17H15F3/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)16(18)15(13)17(14,19)20/h3-8,14H,9H2,1-2H3
InChIKeyTVPURTQPROPADD-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene?
The IUPAC name of 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene (CID 59658583) is 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene.
What is the SMILES notation for 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene?
The canonical SMILES for 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene is Cc1ccc(C2Cc3ccc(C)c(F)c3C2(F)F)cc1.
What is the InChIKey of 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene?
The InChIKey is TVPURTQPROPADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)16(18)15(13)17(14,19)20/h3-8,14H,9H2,1-2H3.
What are the key properties of 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene?
3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene has a molecular weight of 276.30 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene is sourced from PubChem (CID 59658583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).