6-ethenyl-5,5-difluorocyclohexa-1,3-diene

C8H8F2 — CID 18546422

IUPAC6-ethenyl-5,5-difluorocyclohexa-1,3-diene
SMILESC=CC1C=CC=CC1(F)F
InChIInChI=1S/C8H8F2/c1-2-7-5-3-4-6-8(7,9)10/h2-7H,1H2
InChIKeyOQZMPAGXCRTMIZ-UHFFFAOYSA-N
MW142.15 g/mol
LogP2.55
Rot. Bonds1

About 6-ethenyl-5,5-difluorocyclohexa-1,3-diene

6-ethenyl-5,5-difluorocyclohexa-1,3-diene (PubChem CID 18546422) has the molecular formula C8H8F2 and a molecular weight of 142.15 g/mol. Its IUPAC name is 6-ethenyl-5,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethenyl-5,5-difluorocyclohexa-1,3-diene
PubChem CID18546422
Molecular FormulaC8H8F2
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name6-ethenyl-5,5-difluorocyclohexa-1,3-diene
SMILESC=CC1C=CC=CC1(F)F
InChIInChI=1S/C8H8F2/c1-2-7-5-3-4-6-8(7,9)10/h2-7H,1H2
InChIKeyOQZMPAGXCRTMIZ-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 52.55
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-5,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 6-ethenyl-5,5-difluorocyclohexa-1,3-diene (CID 18546422) is 6-ethenyl-5,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-ethenyl-5,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 6-ethenyl-5,5-difluorocyclohexa-1,3-diene is C=CC1C=CC=CC1(F)F.
What is the InChIKey of 6-ethenyl-5,5-difluorocyclohexa-1,3-diene?
The InChIKey is OQZMPAGXCRTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2/c1-2-7-5-3-4-6-8(7,9)10/h2-7H,1H2.
What are the key properties of 6-ethenyl-5,5-difluorocyclohexa-1,3-diene?
6-ethenyl-5,5-difluorocyclohexa-1,3-diene has a molecular weight of 142.15 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 18546422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).