5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene

C11H12F8 — CID 87290036

IUPAC5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene
SMILESCC1=C(F)C(F)(F)C(F)(C(C)(C)C)C(F)(F)C1(F)F
InChIInChI=1S/C11H12F8/c1-5-6(12)9(15,16)10(17,7(2,3)4)11(18,19)8(5,13)14/h1-4H3
InChIKeyRNIGQZOPMWDONP-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.90
Rot. Bonds

About 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene

5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene (PubChem CID 87290036) has the molecular formula C11H12F8 and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene.

Molecular Properties

Compound Name5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene
PubChem CID87290036
Molecular FormulaC11H12F8
Molecular Weight296.20 g/mol
Exact Mass296.08
IUPAC Name5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene
SMILESCC1=C(F)C(F)(F)C(F)(C(C)(C)C)C(F)(F)C1(F)F
InChIInChI=1S/C11H12F8/c1-5-6(12)9(15,16)10(17,7(2,3)4)11(18,19)8(5,13)14/h1-4H3
InChIKeyRNIGQZOPMWDONP-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene?
The IUPAC name of 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene (CID 87290036) is 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene.
What is the SMILES notation for 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene?
The canonical SMILES for 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene is CC1=C(F)C(F)(F)C(F)(C(C)(C)C)C(F)(F)C1(F)F.
What is the InChIKey of 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene?
The InChIKey is RNIGQZOPMWDONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F8/c1-5-6(12)9(15,16)10(17,7(2,3)4)11(18,19)8(5,13)14/h1-4H3.
What are the key properties of 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene?
5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene has a molecular weight of 296.20 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3,3,4,4,5,6,6-octafluoro-2-methylcyclohexene is sourced from PubChem (CID 87290036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).