4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene

C21H18F6 — CID 141047271

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene
SMILESCC(C)(C)C1=Cc2c(cccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H18F6/c1-19(2,3)14-7-12-5-4-6-17(18(12)11-14)13-8-15(20(22,23)24)10-16(9-13)21(25,26)27/h4-6,8-11H,7H2,1-3H3
InChIKeyMGZATKKHPLVOSV-UHFFFAOYSA-N
MW384.36 g/mol
LogP7.38
Rot. Bonds1

About 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene

4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene (PubChem CID 141047271) has the molecular formula C21H18F6 and a molecular weight of 384.36 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene
PubChem CID141047271
Molecular FormulaC21H18F6
Molecular Weight384.36 g/mol
Exact Mass384.13
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene
SMILESCC(C)(C)C1=Cc2c(cccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H18F6/c1-19(2,3)14-7-12-5-4-6-17(18(12)11-14)13-8-15(20(22,23)24)10-16(9-13)21(25,26)27/h4-6,8-11H,7H2,1-3H3
InChIKeyMGZATKKHPLVOSV-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1H-indene
CID 173192696
4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
2-tert-butyl-4-(4-methoxyphenyl)-1H-indene
CID 87961320
1,3-bis[3,5-bis(trifluoromethyl)phenyl]-2-methylbenzene
CID 163637967
CID 71082782
CID 71082782
dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene
CID 174516204
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene
CID 87188383
bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane
CID 12009760
4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281
dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene
CID 175439244

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene (CID 141047271) is 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene is CC(C)(C)C1=Cc2c(cccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene?
The InChIKey is MGZATKKHPLVOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6/c1-19(2,3)14-7-12-5-4-6-17(18(12)11-14)13-8-15(20(22,23)24)10-16(9-13)21(25,26)27/h4-6,8-11H,7H2,1-3H3.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene?
4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene has a molecular weight of 384.36 g/mol, XLogP of 7.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene is sourced from PubChem (CID 141047271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).