3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene

C18H22F4 — CID 121479932

IUPAC3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene
SMILESCCCC1CCC(C2CC(F)(F)c3c2ccc(F)c3F)CC1
InChIInChI=1S/C18H22F4/c1-2-3-11-4-6-12(7-5-11)14-10-18(21,22)16-13(14)8-9-15(19)17(16)20/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyWDRFWJJHBHSLDI-UHFFFAOYSA-N
MW314.37 g/mol
LogP6.15
Rot. Bonds3

About 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene

3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene (PubChem CID 121479932) has the molecular formula C18H22F4 and a molecular weight of 314.37 g/mol. Its IUPAC name is 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene.

Molecular Properties

Compound Name3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene
PubChem CID121479932
Molecular FormulaC18H22F4
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC Name3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene
SMILESCCCC1CCC(C2CC(F)(F)c3c2ccc(F)c3F)CC1
InChIInChI=1S/C18H22F4/c1-2-3-11-4-6-12(7-5-11)14-10-18(21,22)16-13(14)8-9-15(19)17(16)20/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyWDRFWJJHBHSLDI-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.37
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
CID 86035820
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
CID 134457069
1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine
CID 106941547
2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
CID 28968119
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331721
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
1,3,4-trifluoro-2-methyl-5-(4-propylcyclohexyl)benzene
CID 18635056
5-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 67968714
1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 130261244
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
CID 159397311

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene?
The IUPAC name of 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene (CID 121479932) is 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene.
What is the SMILES notation for 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene?
The canonical SMILES for 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene is CCCC1CCC(C2CC(F)(F)c3c2ccc(F)c3F)CC1.
What is the InChIKey of 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene?
The InChIKey is WDRFWJJHBHSLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4/c1-2-3-11-4-6-12(7-5-11)14-10-18(21,22)16-13(14)8-9-15(19)17(16)20/h8-9,11-12,14H,2-7,10H2,1H3.
What are the key properties of 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene?
3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene has a molecular weight of 314.37 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene is sourced from PubChem (CID 121479932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).