3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene

C7HF11 — CID 14023042

IUPAC3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF11/c8-3(9)1-2(5(12,13)14)4(10,11)7(17,18)6(3,15)16/h1H
InChIKeyPMZTYRFHQHVXBJ-UHFFFAOYSA-N
MW294.06 g/mol
LogP4.03
Rot. Bonds

About 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene

3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene (PubChem CID 14023042) has the molecular formula C7HF11 and a molecular weight of 294.06 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene
PubChem CID14023042
Molecular FormulaC7HF11
Molecular Weight294.06 g/mol
Exact Mass293.99
IUPAC Name3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF11/c8-3(9)1-2(5(12,13)14)4(10,11)7(17,18)6(3,15)16/h1H
InChIKeyPMZTYRFHQHVXBJ-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.06
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene (CID 14023042) is 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene is FC(F)(F)C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene?
The InChIKey is PMZTYRFHQHVXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF11/c8-3(9)1-2(5(12,13)14)4(10,11)7(17,18)6(3,15)16/h1H.
What are the key properties of 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene?
3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene has a molecular weight of 294.06 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluoro-1-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 14023042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).