1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene

C10H9F7O — CID 122554587

IUPAC1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene
SMILESC=CCCCOC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F7O/c1-2-3-4-5-18-7-6(11)8(12,13)10(16,17)9(7,14)15/h2H,1,3-5H2
InChIKeyMOIQTAXRYFJWPD-UHFFFAOYSA-N
MW278.17 g/mol
LogP4.07
Rot. Bonds5

About 1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene

1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene (PubChem CID 122554587) 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-enoxycyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene
PubChem CID122554587
Molecular FormulaC10H9F7O
Molecular Weight278.17 g/mol
Exact Mass278.05
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene
SMILESC=CCCCOC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F7O/c1-2-3-4-5-18-7-6(11)8(12,13)10(16,17)9(7,14)15/h2H,1,3-5H2
InChIKeyMOIQTAXRYFJWPD-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene (CID 122554587) is 1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene is C=CCCCOC1=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-enoxycyclopentene?
The InChIKey is MOIQTAXRYFJWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7O/c1-2-3-4-5-18-7-6(11)8(12,13)10(16,17)9(7,14)15/h2H,1,3-5H2.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-pent-4-enoxycyclopentene has a molecular weight of 278.17 g/mol, XLogP of 4.07, 5 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-enoxycyclopentene is sourced from PubChem (CID 122554587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).