3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene

C7H6F6 — CID 20753605

IUPAC3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene
SMILESCC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H6F6/c1-3-4(2)6(10,11)7(12,13)5(3,8)9/h1-2H3
InChIKeyQXJQQTBBRZMPDG-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.24
Rot. Bonds

About 3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene

3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene (PubChem CID 20753605) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene
PubChem CID20753605
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene
SMILESCC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H6F6/c1-3-4(2)6(10,11)7(12,13)5(3,8)9/h1-2H3
InChIKeyQXJQQTBBRZMPDG-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.24
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-hexafluoro-1,2-dimethylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene (CID 20753605) is 3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene is CC1=C(C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene?
The InChIKey is QXJQQTBBRZMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-3-4(2)6(10,11)7(12,13)5(3,8)9/h1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-dimethylcyclopentene has a molecular weight of 204.11 g/mol, XLogP of 3.24, 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-hexafluoro-1,2-dimethylcyclopentene is sourced from PubChem (CID 20753605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).