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

C25H36F4 — CID 171813038

IUPAC2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane
SMILESCC.CCc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C3CCCCC3)CC1)C2
InChIInChI=1S/C23H30F4.C2H6/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;1-2/h12,15-17,19H,2-11,13H2,1H3;1-2H3
InChIKeyXISKKRIGHNJKFL-UHFFFAOYSA-N
MW412.56 g/mol
LogP8.20
Rot. Bonds3

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

2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane (PubChem CID 171813038) has the molecular formula C25H36F4 and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane.

Molecular Properties

Compound Name2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane
PubChem CID171813038
Molecular FormulaC25H36F4
Molecular Weight412.56 g/mol
Exact Mass412.28
IUPAC Name2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane
SMILESCC.CCc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C3CCCCC3)CC1)C2
InChIInChI=1S/C23H30F4.C2H6/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;1-2/h12,15-17,19H,2-11,13H2,1H3;1-2H3
InChIKeyXISKKRIGHNJKFL-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane?
The IUPAC name of 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane (CID 171813038) is 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane.
What is the SMILES notation for 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane?
The canonical SMILES for 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane is CC.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;ethane?
The InChIKey is XISKKRIGHNJKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F4.C2H6/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;1-2/h12,15-17,19H,2-11,13H2,1H3;1-2H3.
What are the key properties of 2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane?
2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane has a molecular weight of 412.56 g/mol, XLogP of 8.20, 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;ethane is sourced from PubChem (CID 171813038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).