2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane

C8H10F6 — CID 59816202

IUPAC2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane
SMILESCCC1(C)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C8H10F6/c1-3-5(2)6(9,10)4-7(11,12)8(5,13)14/h3-4H2,1-2H3
InChIKeyAZBGLTJWQWKZIB-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.71
Rot. Bonds1

About 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane

2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane (PubChem CID 59816202) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane.

Molecular Properties

Compound Name2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane
PubChem CID59816202
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane
SMILESCCC1(C)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C8H10F6/c1-3-5(2)6(9,10)4-7(11,12)8(5,13)14/h3-4H2,1-2H3
InChIKeyAZBGLTJWQWKZIB-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.71
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 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane?
The IUPAC name of 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane (CID 59816202) is 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane.
What is the SMILES notation for 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane?
The canonical SMILES for 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane is CCC1(C)C(F)(F)CC(F)(F)C1(F)F.
What is the InChIKey of 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane?
The InChIKey is AZBGLTJWQWKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6/c1-3-5(2)6(9,10)4-7(11,12)8(5,13)14/h3-4H2,1-2H3.
What are the key properties of 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane?
2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane has a molecular weight of 220.16 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1,3,3,4,4-hexafluoro-2-methylcyclopentane is sourced from PubChem (CID 59816202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).