1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene

C9H8F8 — CID 170071201

IUPAC1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene
SMILESCC(C)C1C(F)=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H8F8/c1-3(2)4-5(10)6(11)8(14,15)9(16,17)7(4,12)13/h3-4H,1-2H3
InChIKeyGYKKILGMLJRFBQ-UHFFFAOYSA-N
MW268.15 g/mol
LogP4.33
Rot. Bonds1

About 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene

1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene (PubChem CID 170071201) has the molecular formula C9H8F8 and a molecular weight of 268.15 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene.

Molecular Properties

Compound Name1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene
PubChem CID170071201
Molecular FormulaC9H8F8
Molecular Weight268.15 g/mol
Exact Mass268.05
IUPAC Name1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene
SMILESCC(C)C1C(F)=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H8F8/c1-3(2)4-5(10)6(11)8(14,15)9(16,17)7(4,12)13/h3-4H,1-2H3
InChIKeyGYKKILGMLJRFBQ-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 54.33
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 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene?
The IUPAC name of 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene (CID 170071201) is 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene.
What is the SMILES notation for 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene?
The canonical SMILES for 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene is CC(C)C1C(F)=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene?
The InChIKey is GYKKILGMLJRFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F8/c1-3(2)4-5(10)6(11)8(14,15)9(16,17)7(4,12)13/h3-4H,1-2H3.
What are the key properties of 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene?
1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene has a molecular weight of 268.15 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,5,5-octafluoro-6-propan-2-ylcyclohexene is sourced from PubChem (CID 170071201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).