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

C10H9F7O — CID 86663226

IUPAC1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene
SMILESC=CCC(C)OC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F7O/c1-3-4-5(2)18-7-6(11)8(12,13)10(16,17)9(7,14)15/h3,5H,1,4H2,2H3
InChIKeyTZBHTXAPYFQHTQ-UHFFFAOYSA-N
MW278.17 g/mol
LogP4.07
Rot. Bonds4

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

1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene (PubChem CID 86663226) has the molecular formula C10H9F7O and a molecular weight of 278.17 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene
PubChem CID86663226
Molecular FormulaC10H9F7O
Molecular Weight278.17 g/mol
Exact Mass278.05
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene
SMILESC=CCC(C)OC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F7O/c1-3-4-5(2)18-7-6(11)8(12,13)10(16,17)9(7,14)15/h3,5H,1,4H2,2H3
InChIKeyTZBHTXAPYFQHTQ-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 54.07
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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Related Compounds

1-(3-Butenyloxy)-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 59259641
1-But-3-enoxy-2-fluorocyclopentene
CID 66680623
1-Fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene
CID 66680850
1-Fluoro-2-pent-4-en-2-yloxycyclopentene
CID 66681240
1-[[1-(Trifluoromethyl)-3-butenyl]oxy]-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 87108583
1,1,2,2,3,3,4-Heptafluoro-5-pent-4-en-2-yloxycyclopentane
CID 87108637
3,3,4,4,5,5-Hexafluoro-1,2-bis(pent-4-enoxy)cyclopentene
CID 122554585
1,3,3,4,4,5,5-Heptafluoro-2-pent-4-enoxycyclopentene
CID 122554587
1-But-1-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 140094534
1-Ethoxy-3,3,4,4,5,5-hexafluorocyclopentene
CID 140227295
1-But-3-enoxy-3,3,4,4,5,5-hexafluorocyclopentene
CID 140239887
(Z)-4,4,5,5,6,6-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
CID 142659699

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene (CID 86663226) is 1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene is C=CCC(C)OC1=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-pent-4-en-2-yloxycyclopentene?
The InChIKey is TZBHTXAPYFQHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7O/c1-3-4-5(2)18-7-6(11)8(12,13)10(16,17)9(7,14)15/h3,5H,1,4H2,2H3.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene has a molecular weight of 278.17 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-pent-4-en-2-yloxycyclopentene is sourced from PubChem (CID 86663226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).