1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene

C8H7F7 — CID 170031363

IUPAC1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene
SMILESCC(C)C1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H7F7/c1-3(2)4-5(9)7(12,13)8(14,15)6(4,10)11/h3H,1-2H3
InChIKeyJHIUGAJJHFQPJL-UHFFFAOYSA-N
MW236.13 g/mol
LogP3.79
Rot. Bonds1

About 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene

1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene (PubChem CID 170031363) has the molecular formula C8H7F7 and a molecular weight of 236.13 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene
PubChem CID170031363
Molecular FormulaC8H7F7
Molecular Weight236.13 g/mol
Exact Mass236.04
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene
SMILESCC(C)C1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H7F7/c1-3(2)4-5(9)7(12,13)8(14,15)6(4,10)11/h3H,1-2H3
InChIKeyJHIUGAJJHFQPJL-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 53.79
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 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene (CID 170031363) is 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene is CC(C)C1=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene?
The InChIKey is JHIUGAJJHFQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7/c1-3(2)4-5(9)7(12,13)8(14,15)6(4,10)11/h3H,1-2H3.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene has a molecular weight of 236.13 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-propan-2-ylcyclopentene is sourced from PubChem (CID 170031363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).