1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane

C10H11F7O — CID 87108637

IUPAC1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane
SMILESC=CCC(C)OC1C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H11F7O/c1-3-4-5(2)18-7-6(11)8(12,13)10(16,17)9(7,14)15/h3,5-7H,1,4H2,2H3
InChIKeyCLCACVFUGPTTPM-UHFFFAOYSA-N
MW280.18 g/mol
LogP3.59
Rot. Bonds4

About 1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane

1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane (PubChem CID 87108637) has the molecular formula C10H11F7O and a molecular weight of 280.18 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane
PubChem CID87108637
Molecular FormulaC10H11F7O
Molecular Weight280.18 g/mol
Exact Mass280.07
IUPAC Name1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane
SMILESC=CCC(C)OC1C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H11F7O/c1-3-4-5(2)18-7-6(11)8(12,13)10(16,17)9(7,14)15/h3,5-7H,1,4H2,2H3
InChIKeyCLCACVFUGPTTPM-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-heptafluoro-5-pent-4-en-2-yloxycyclopentane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane (CID 87108637) is 1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane is C=CCC(C)OC1C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane?
The InChIKey is CLCACVFUGPTTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O/c1-3-4-5(2)18-7-6(11)8(12,13)10(16,17)9(7,14)15/h3,5-7H,1,4H2,2H3.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane?
1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane has a molecular weight of 280.18 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-5-pent-4-en-2-yloxycyclopentane is sourced from PubChem (CID 87108637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).