2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene

C15H22F4 — CID 70806824

IUPAC2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESFC1CCC2CC(C3CCCCC3)C(F)(F)C2C1F
InChIInChI=1S/C15H22F4/c16-12-7-6-10-8-11(9-4-2-1-3-5-9)15(18,19)13(10)14(12)17/h9-14H,1-8H2
InChIKeyUDJSZSVPFZBFMI-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.92
Rot. Bonds1

About 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene

2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene (PubChem CID 70806824) has the molecular formula C15H22F4 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene.

Molecular Properties

Compound Name2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene
PubChem CID70806824
Molecular FormulaC15H22F4
Molecular Weight278.33 g/mol
Exact Mass278.17
IUPAC Name2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESFC1CCC2CC(C3CCCCC3)C(F)(F)C2C1F
InChIInChI=1S/C15H22F4/c16-12-7-6-10-8-11(9-4-2-1-3-5-9)15(18,19)13(10)14(12)17/h9-14H,1-8H2
InChIKeyUDJSZSVPFZBFMI-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene?
The IUPAC name of 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene (CID 70806824) is 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene.
What is the SMILES notation for 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene?
The canonical SMILES for 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene is FC1CCC2CC(C3CCCCC3)C(F)(F)C2C1F.
What is the InChIKey of 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene?
The InChIKey is UDJSZSVPFZBFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4/c16-12-7-6-10-8-11(9-4-2-1-3-5-9)15(18,19)13(10)14(12)17/h9-14H,1-8H2.
What are the key properties of 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene?
2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene has a molecular weight of 278.33 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroindene is sourced from PubChem (CID 70806824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).