ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane

C9H10F6 — CID 143423898

IUPACethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane
SMILESC=C1C(=C)C(F)(F)C(F)(F)C1(F)F.CC
InChIInChI=1S/C7H4F6.C2H6/c1-3-4(2)6(10,11)7(12,13)5(3,8)9;1-2/h1-2H2;1-2H3
InChIKeyNJBODEJZQYDBMX-UHFFFAOYSA-N
MW232.17 g/mol
LogP4.04
Rot. Bonds

About ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane

ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane (PubChem CID 143423898) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane.

Molecular Properties

Compound Nameethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane
PubChem CID143423898
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Nameethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane
SMILESC=C1C(=C)C(F)(F)C(F)(F)C1(F)F.CC
InChIInChI=1S/C7H4F6.C2H6/c1-3-4(2)6(10,11)7(12,13)5(3,8)9;1-2/h1-2H2;1-2H3
InChIKeyNJBODEJZQYDBMX-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 54.04
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 ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane?
The IUPAC name of ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane (CID 143423898) is ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane.
What is the SMILES notation for ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane?
The canonical SMILES for ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane is C=C1C(=C)C(F)(F)C(F)(F)C1(F)F.CC.
What is the InChIKey of ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane?
The InChIKey is NJBODEJZQYDBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6.C2H6/c1-3-4(2)6(10,11)7(12,13)5(3,8)9;1-2/h1-2H2;1-2H3.
What are the key properties of ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane?
ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane has a molecular weight of 232.17 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane is sourced from PubChem (CID 143423898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).