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

C16H24F4 — CID 59348912

IUPAC3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCC1CCC(C2CC3CCC(F)C(F)C3C2(F)F)CC1
InChIInChI=1S/C16H24F4/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20/h9-15H,2-8H2,1H3
InChIKeyBPZUFOGIQRDEKE-UHFFFAOYSA-N
MW292.36 g/mol
LogP5.17
Rot. Bonds1

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

3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene (PubChem CID 59348912) has the molecular formula C16H24F4 and a molecular weight of 292.36 g/mol. Its IUPAC name is 3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene.

Molecular Properties

Compound Name3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
PubChem CID59348912
Molecular FormulaC16H24F4
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC Name3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCC1CCC(C2CC3CCC(F)C(F)C3C2(F)F)CC1
InChIInChI=1S/C16H24F4/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20/h9-15H,2-8H2,1H3
InChIKeyBPZUFOGIQRDEKE-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The IUPAC name of 3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene (CID 59348912) is 3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene.
What is the SMILES notation for 3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The canonical SMILES for 3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene is CC1CCC(C2CC3CCC(F)C(F)C3C2(F)F)CC1.
What is the InChIKey of 3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The InChIKey is BPZUFOGIQRDEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F4/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20/h9-15H,2-8H2,1H3.
What are the key properties of 3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene has a molecular weight of 292.36 g/mol, XLogP of 5.17, 1 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-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene is sourced from PubChem (CID 59348912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).