4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene

C24H24F6 — CID 87703074

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene
SMILESCC(C)CC1=Cc2c(ccc(C(C)C)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H24F6/c1-13(2)7-15-8-16-5-6-20(14(3)4)22(21(16)9-15)17-10-18(23(25,26)27)12-19(11-17)24(28,29)30/h5-6,9-14H,7-8H2,1-4H3
InChIKeyBEDZMZHWMRJUHV-UHFFFAOYSA-N
MW426.44 g/mol
LogP8.50
Rot. Bonds4

About 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene

4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene (PubChem CID 87703074) has the molecular formula C24H24F6 and a molecular weight of 426.44 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene
PubChem CID87703074
Molecular FormulaC24H24F6
Molecular Weight426.44 g/mol
Exact Mass426.18
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene
SMILESCC(C)CC1=Cc2c(ccc(C(C)C)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H24F6/c1-13(2)7-15-8-16-5-6-20(14(3)4)22(21(16)9-15)17-10-18(23(25,26)27)12-19(11-17)24(28,29)30/h5-6,9-14H,7-8H2,1-4H3
InChIKeyBEDZMZHWMRJUHV-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene (CID 87703074) is 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene is CC(C)CC1=Cc2c(ccc(C(C)C)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene?
The InChIKey is BEDZMZHWMRJUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6/c1-13(2)7-15-8-16-5-6-20(14(3)4)22(21(16)9-15)17-10-18(23(25,26)27)12-19(11-17)24(28,29)30/h5-6,9-14H,7-8H2,1-4H3.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene?
4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene has a molecular weight of 426.44 g/mol, XLogP of 8.50, 4 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-(2-methylpropyl)-5-propan-2-yl-1H-indene is sourced from PubChem (CID 87703074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).