6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene

C8H6F4 — CID 18463318

IUPAC6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene
SMILESC=CC1C(F)=C(F)C=C(F)C1F
InChIInChI=1S/C8H6F4/c1-2-4-7(11)5(9)3-6(10)8(4)12/h2-4,7H,1H2
InChIKeyKLONQMQFDAZCHA-UHFFFAOYSA-N
MW178.13 g/mol
LogP3.14
Rot. Bonds1

About 6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene

6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene (PubChem CID 18463318) has the molecular formula C8H6F4 and a molecular weight of 178.13 g/mol. Its IUPAC name is 6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene
PubChem CID18463318
Molecular FormulaC8H6F4
Molecular Weight178.13 g/mol
Exact Mass178.04
IUPAC Name6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene
SMILESC=CC1C(F)=C(F)C=C(F)C1F
InChIInChI=1S/C8H6F4/c1-2-4-7(11)5(9)3-6(10)8(4)12/h2-4,7H,1H2
InChIKeyKLONQMQFDAZCHA-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 53.14
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-1,2,4,5-tetrafluorocyclohexa-1,3-diene?
The IUPAC name of 6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene (CID 18463318) is 6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene?
The canonical SMILES for 6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene is C=CC1C(F)=C(F)C=C(F)C1F.
What is the InChIKey of 6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene?
The InChIKey is KLONQMQFDAZCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4/c1-2-4-7(11)5(9)3-6(10)8(4)12/h2-4,7H,1H2.
What are the key properties of 6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene?
6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene has a molecular weight of 178.13 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,2,4,5-tetrafluorocyclohexa-1,3-diene is sourced from PubChem (CID 18463318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).