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

C17H26F4 — CID 70806826

IUPAC2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCCC1CCC(C2CC3CCC(F)C(F)C3C2(F)F)CC1
InChIInChI=1S/C17H26F4/c1-2-10-3-5-11(6-4-10)13-9-12-7-8-14(18)16(19)15(12)17(13,20)21/h10-16H,2-9H2,1H3
InChIKeyIGAAWGQLUDBRAM-UHFFFAOYSA-N
MW306.39 g/mol
LogP5.56
Rot. Bonds2

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

2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene (PubChem CID 70806826) has the molecular formula C17H26F4 and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene
PubChem CID70806826
Molecular FormulaC17H26F4
Molecular Weight306.39 g/mol
Exact Mass306.20
IUPAC Name2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCCC1CCC(C2CC3CCC(F)C(F)C3C2(F)F)CC1
InChIInChI=1S/C17H26F4/c1-2-10-3-5-11(6-4-10)13-9-12-7-8-14(18)16(19)15(12)17(13,20)21/h10-16H,2-9H2,1H3
InChIKeyIGAAWGQLUDBRAM-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.39
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene?
The IUPAC name of 2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene (CID 70806826) is 2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene?
The canonical SMILES for 2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene is CCC1CCC(C2CC3CCC(F)C(F)C3C2(F)F)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene?
The InChIKey is IGAAWGQLUDBRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F4/c1-2-10-3-5-11(6-4-10)13-9-12-7-8-14(18)16(19)15(12)17(13,20)21/h10-16H,2-9H2,1H3.
What are the key properties of 2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene?
2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene has a molecular weight of 306.39 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene is sourced from PubChem (CID 70806826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).