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

C17H18F4 — CID 90946866

IUPAC2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene
SMILESC=CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1
InChIInChI=1S/C17H18F4/c1-2-10-3-5-11(6-4-10)13-9-12-7-8-14(18)16(19)15(12)17(13,20)21/h2,7-8,10-11,13H,1,3-6,9H2
InChIKeyQLCDARNCKIIRDA-UHFFFAOYSA-N
MW298.32 g/mol
LogP5.22
Rot. Bonds2

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

2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene (PubChem CID 90946866) has the molecular formula C17H18F4 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene.

Molecular Properties

Compound Name2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene
PubChem CID90946866
Molecular FormulaC17H18F4
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene
SMILESC=CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1
InChIInChI=1S/C17H18F4/c1-2-10-3-5-11(6-4-10)13-9-12-7-8-14(18)16(19)15(12)17(13,20)21/h2,7-8,10-11,13H,1,3-6,9H2
InChIKeyQLCDARNCKIIRDA-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.32
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene
CID 156509672
methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene
CID 161136541
molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)
CID 161167767
3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene
CID 126591053
4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran
CID 159164429
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
CID 134457069
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane
CID 171813038
2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene
CID 156509665
4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
CID 23509160
2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852115
2-(4-ethenylcyclohexyl)-5-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852235

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene?
The IUPAC name of 2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene (CID 90946866) is 2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene.
What is the SMILES notation for 2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene?
The canonical SMILES for 2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene is C=CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.
What is the InChIKey of 2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene?
The InChIKey is QLCDARNCKIIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4/c1-2-10-3-5-11(6-4-10)13-9-12-7-8-14(18)16(19)15(12)17(13,20)21/h2,7-8,10-11,13H,1,3-6,9H2.
What are the key properties of 2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene?
2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene has a molecular weight of 298.32 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene is sourced from PubChem (CID 90946866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).