2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene

C23H30F4 — CID 156509665

IUPAC2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene
SMILESCCc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C3CCCCC3)CC1)C2
InChIInChI=1S/C23H30F4/c1-2-14-12-18-13-19(23(26,27)20(18)22(25)21(14)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h12,15-17,19H,2-11,13H2,1H3
InChIKeyIVDLHXPXKARPHL-UHFFFAOYSA-N
MW382.49 g/mol
LogP7.18
Rot. Bonds3

About 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene

2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene (PubChem CID 156509665) has the molecular formula C23H30F4 and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene.

Molecular Properties

Compound Name2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene
PubChem CID156509665
Molecular FormulaC23H30F4
Molecular Weight382.49 g/mol
Exact Mass382.23
IUPAC Name2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene
SMILESCCc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C3CCCCC3)CC1)C2
InChIInChI=1S/C23H30F4/c1-2-14-12-18-13-19(23(26,27)20(18)22(25)21(14)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h12,15-17,19H,2-11,13H2,1H3
InChIKeyIVDLHXPXKARPHL-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene?
The IUPAC name of 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene (CID 156509665) is 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene.
What is the SMILES notation for 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene?
The canonical SMILES for 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene is CCc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C3CCCCC3)CC1)C2.
What is the InChIKey of 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene?
The InChIKey is IVDLHXPXKARPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F4/c1-2-14-12-18-13-19(23(26,27)20(18)22(25)21(14)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h12,15-17,19H,2-11,13H2,1H3.
What are the key properties of 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene?
2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene has a molecular weight of 382.49 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene is sourced from PubChem (CID 156509665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).