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

C6H4F8 — CID 15828067

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane
SMILESCC1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H4F8/c1-2-3(7,8)5(11,12)6(13,14)4(2,9)10/h2H,1H3
InChIKeyMVYOPEZIJXTAAI-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.18
Rot. Bonds

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

1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane (PubChem CID 15828067) has the molecular formula C6H4F8 and a molecular weight of 228.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane
PubChem CID15828067
Molecular FormulaC6H4F8
Molecular Weight228.08 g/mol
Exact Mass228.02
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane
SMILESCC1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H4F8/c1-2-3(7,8)5(11,12)6(13,14)4(2,9)10/h2H,1H3
InChIKeyMVYOPEZIJXTAAI-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.18
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 1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane (CID 15828067) is 1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane is CC1C(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-methylcyclopentane?
The InChIKey is MVYOPEZIJXTAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8/c1-2-3(7,8)5(11,12)6(13,14)4(2,9)10/h2H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane?
1,1,2,2,3,3,4,4-octafluoro-5-methylcyclopentane has a molecular weight of 228.08 g/mol, XLogP of 3.18, 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-methylcyclopentane is sourced from PubChem (CID 15828067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).