4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene

C18H12F6 — CID 141003705

IUPAC4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene
SMILESCC1=Cc2c(cccc2-c2c(C(F)(F)F)cccc2C(F)(F)F)C1
InChIInChI=1S/C18H12F6/c1-10-8-11-4-2-5-12(13(11)9-10)16-14(17(19,20)21)6-3-7-15(16)18(22,23)24/h2-7,9H,8H2,1H3
InChIKeyZBONYSGPEBEOHQ-UHFFFAOYSA-N
MW342.28 g/mol
LogP6.35
Rot. Bonds1

About 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene

4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene (PubChem CID 141003705) has the molecular formula C18H12F6 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene.

Molecular Properties

Compound Name4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene
PubChem CID141003705
Molecular FormulaC18H12F6
Molecular Weight342.28 g/mol
Exact Mass342.08
IUPAC Name4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene
SMILESCC1=Cc2c(cccc2-c2c(C(F)(F)F)cccc2C(F)(F)F)C1
InChIInChI=1S/C18H12F6/c1-10-8-11-4-2-5-12(13(11)9-10)16-14(17(19,20)21)6-3-7-15(16)18(22,23)24/h2-7,9H,8H2,1H3
InChIKeyZBONYSGPEBEOHQ-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
4-(2,3-dimethylphenyl)-2-methyl-1H-indene
CID 22259782
2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene
CID 172999052
2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene
CID 173192525
4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281
2-methyl-4-(3-phenylphenyl)-1H-indene
CID 18008269
dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene
CID 175439244
dimethylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-indene);dichloride
CID 173107373
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850
2-(2-methyl-1H-inden-4-yl)-1,3-thiazole
CID 173192576
4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene
CID 87703570
2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene
CID 173192414

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene?
The IUPAC name of 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene (CID 141003705) is 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene.
What is the SMILES notation for 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene?
The canonical SMILES for 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene is CC1=Cc2c(cccc2-c2c(C(F)(F)F)cccc2C(F)(F)F)C1.
What is the InChIKey of 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene?
The InChIKey is ZBONYSGPEBEOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6/c1-10-8-11-4-2-5-12(13(11)9-10)16-14(17(19,20)21)6-3-7-15(16)18(22,23)24/h2-7,9H,8H2,1H3.
What are the key properties of 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene?
4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene has a molecular weight of 342.28 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene is sourced from PubChem (CID 141003705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).