6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene

C8H5F5 — CID 19598619

IUPAC6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene
SMILESC=CC1C(F)=C(F)C(F)=CC1(F)F
InChIInChI=1S/C8H5F5/c1-2-4-6(10)7(11)5(9)3-8(4,12)13/h2-4H,1H2
InChIKeyVJDBZZJIVIOZBQ-UHFFFAOYSA-N
MW196.12 g/mol
LogP3.44
Rot. Bonds1

About 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene

6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene (PubChem CID 19598619) has the molecular formula C8H5F5 and a molecular weight of 196.12 g/mol. Its IUPAC name is 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene
PubChem CID19598619
Molecular FormulaC8H5F5
Molecular Weight196.12 g/mol
Exact Mass196.03
IUPAC Name6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene
SMILESC=CC1C(F)=C(F)C(F)=CC1(F)F
InChIInChI=1S/C8H5F5/c1-2-4-6(10)7(11)5(9)3-8(4,12)13/h2-4H,1H2
InChIKeyVJDBZZJIVIOZBQ-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene?
The IUPAC name of 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene (CID 19598619) is 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene?
The canonical SMILES for 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene is C=CC1C(F)=C(F)C(F)=CC1(F)F.
What is the InChIKey of 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene?
The InChIKey is VJDBZZJIVIOZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5/c1-2-4-6(10)7(11)5(9)3-8(4,12)13/h2-4H,1H2.
What are the key properties of 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene?
6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene has a molecular weight of 196.12 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,2,3,5,5-pentafluorocyclohexa-1,3-diene is sourced from PubChem (CID 19598619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).