1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene

C10H6F10O — CID 87108583

IUPAC1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene
SMILESC=CCC(OC1=C(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10H6F10O/c1-2-3-4(9(16,17)18)21-6-5(11)7(12,13)10(19,20)8(6,14)15/h2,4H,1,3H2
InChIKeyUYYMWEKJWDJOBY-UHFFFAOYSA-N
MW332.14 g/mol
LogP4.61
Rot. Bonds4

About 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene (PubChem CID 87108583) has the molecular formula C10H6F10O and a molecular weight of 332.14 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene
PubChem CID87108583
Molecular FormulaC10H6F10O
Molecular Weight332.14 g/mol
Exact Mass332.03
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene
SMILESC=CCC(OC1=C(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10H6F10O/c1-2-3-4(9(16,17)18)21-6-5(11)7(12,13)10(19,20)8(6,14)15/h2,4H,1,3H2
InChIKeyUYYMWEKJWDJOBY-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 54.61
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 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene (CID 87108583) is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene is C=CCC(OC1=C(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene?
The InChIKey is UYYMWEKJWDJOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F10O/c1-2-3-4(9(16,17)18)21-6-5(11)7(12,13)10(19,20)8(6,14)15/h2,4H,1,3H2.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene has a molecular weight of 332.14 g/mol, XLogP of 4.61, 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-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene is sourced from PubChem (CID 87108583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).