1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane

C6H2F8 — CID 19035195

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane
SMILESC=C1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F8/c1-2-3(7,8)5(11,12)6(13,14)4(2,9)10/h1H2
InChIKeyZDGJXAOBEBAGAQ-UHFFFAOYSA-N
MW226.07 g/mol
LogP3.10
Rot. Bonds

About 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane

1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane (PubChem CID 19035195) has the molecular formula C6H2F8 and a molecular weight of 226.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane
PubChem CID19035195
Molecular FormulaC6H2F8
Molecular Weight226.07 g/mol
Exact Mass226.00
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane
SMILESC=C1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F8/c1-2-3(7,8)5(11,12)6(13,14)4(2,9)10/h1H2
InChIKeyZDGJXAOBEBAGAQ-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 53.10
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 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane (CID 19035195) is 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane is C=C1C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane?
The InChIKey is ZDGJXAOBEBAGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8/c1-2-3(7,8)5(11,12)6(13,14)4(2,9)10/h1H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane?
1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane has a molecular weight of 226.07 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-methylidenecyclopentane is sourced from PubChem (CID 19035195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).