5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene

C24H32F2 — CID 139945530

IUPAC5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
SMILESCCCC1CCC(C2CCC(C3=Cc4cc(F)c(F)cc4C3)CC2)CC1
InChIInChI=1S/C24H32F2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-21-14-23(25)24(26)15-22(21)13-20/h12,14-19H,2-11,13H2,1H3
InChIKeyZXSLJDQNFFDFAJ-UHFFFAOYSA-N
MW358.52 g/mol
LogP7.32
Rot. Bonds4

About 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene

5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene (PubChem CID 139945530) has the molecular formula C24H32F2 and a molecular weight of 358.52 g/mol. Its IUPAC name is 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene.

Molecular Properties

Compound Name5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
PubChem CID139945530
Molecular FormulaC24H32F2
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
SMILESCCCC1CCC(C2CCC(C3=Cc4cc(F)c(F)cc4C3)CC2)CC1
InChIInChI=1S/C24H32F2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-21-14-23(25)24(26)15-22(21)13-20/h12,14-19H,2-11,13H2,1H3
InChIKeyZXSLJDQNFFDFAJ-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 141089582
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
CID 139961519
2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967120
3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961323
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
CID 134457069
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
CID 139961179
2-[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967211
1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene?
The IUPAC name of 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene (CID 139945530) is 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene.
What is the SMILES notation for 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene?
The canonical SMILES for 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene is CCCC1CCC(C2CCC(C3=Cc4cc(F)c(F)cc4C3)CC2)CC1.
What is the InChIKey of 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene?
The InChIKey is ZXSLJDQNFFDFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-21-14-23(25)24(26)15-22(21)13-20/h12,14-19H,2-11,13H2,1H3.
What are the key properties of 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene?
5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene has a molecular weight of 358.52 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene is sourced from PubChem (CID 139945530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).