3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene

C18H28F4 — CID 70806825

IUPAC3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCCCC1CCC(C2CC3CCC(F)C(F)C3C2(F)F)CC1
InChIInChI=1S/C18H28F4/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15(19)17(20)16(13)18(14,21)22/h11-17H,2-10H2,1H3
InChIKeyMOHSEKGUZMQAGD-UHFFFAOYSA-N
MW320.41 g/mol
LogP5.95
Rot. Bonds3

About 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene

3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene (PubChem CID 70806825) has the molecular formula C18H28F4 and a molecular weight of 320.41 g/mol. Its IUPAC name is 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene.

Molecular Properties

Compound Name3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
PubChem CID70806825
Molecular FormulaC18H28F4
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC Name3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCCCC1CCC(C2CC3CCC(F)C(F)C3C2(F)F)CC1
InChIInChI=1S/C18H28F4/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15(19)17(20)16(13)18(14,21)22/h11-17H,2-10H2,1H3
InChIKeyMOHSEKGUZMQAGD-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene with MolForge

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Related Compounds

3,3,4,5-tetrafluoro-2-(4-pentylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
CID 70806860
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
ethane;propane;propylcyclopropane
CID 145406182
(3R)-1-[4-[2-(4-butyl-3-fluorocyclohexyl)ethyl]cyclohexyl]-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 90437445
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine
CID 146330895
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 142486171
2-ethynyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 88888479
3-propylbicyclo[4.2.0]octane
CID 145186098
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The IUPAC name of 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene (CID 70806825) is 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene.
What is the SMILES notation for 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The canonical SMILES for 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene is CCCC1CCC(C2CC3CCC(F)C(F)C3C2(F)F)CC1.
What is the InChIKey of 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The InChIKey is MOHSEKGUZMQAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F4/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15(19)17(20)16(13)18(14,21)22/h11-17H,2-10H2,1H3.
What are the key properties of 3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene has a molecular weight of 320.41 g/mol, XLogP of 5.95, 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-2-(4-propylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene is sourced from PubChem (CID 70806825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).