3,3,6,6-tetrafluorocyclohexa-1,4-diene

C6H4F4 — CID 12676455

IUPAC3,3,6,6-tetrafluorocyclohexa-1,4-diene
SMILESFC1(F)C=CC(F)(F)C=C1
InChIInChI=1S/C6H4F4/c7-5(8)1-2-6(9,10)4-3-5/h1-4H
InChIKeyBSOGQZFFBVWVED-UHFFFAOYSA-N
MW152.09 g/mol
LogP2.38
Rot. Bonds

About 3,3,6,6-tetrafluorocyclohexa-1,4-diene

3,3,6,6-tetrafluorocyclohexa-1,4-diene (PubChem CID 12676455) has the molecular formula C6H4F4 and a molecular weight of 152.09 g/mol. Its IUPAC name is 3,3,6,6-tetrafluorocyclohexa-1,4-diene.

Molecular Properties

Compound Name3,3,6,6-tetrafluorocyclohexa-1,4-diene
PubChem CID12676455
Molecular FormulaC6H4F4
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name3,3,6,6-tetrafluorocyclohexa-1,4-diene
SMILESFC1(F)C=CC(F)(F)C=C1
InChIInChI=1S/C6H4F4/c7-5(8)1-2-6(9,10)4-3-5/h1-4H
InChIKeyBSOGQZFFBVWVED-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 52.38
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 3,3,6,6-tetrafluorocyclohexa-1,4-diene?
The IUPAC name of 3,3,6,6-tetrafluorocyclohexa-1,4-diene (CID 12676455) is 3,3,6,6-tetrafluorocyclohexa-1,4-diene.
What is the SMILES notation for 3,3,6,6-tetrafluorocyclohexa-1,4-diene?
The canonical SMILES for 3,3,6,6-tetrafluorocyclohexa-1,4-diene is FC1(F)C=CC(F)(F)C=C1.
What is the InChIKey of 3,3,6,6-tetrafluorocyclohexa-1,4-diene?
The InChIKey is BSOGQZFFBVWVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4/c7-5(8)1-2-6(9,10)4-3-5/h1-4H.
What are the key properties of 3,3,6,6-tetrafluorocyclohexa-1,4-diene?
3,3,6,6-tetrafluorocyclohexa-1,4-diene has a molecular weight of 152.09 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetrafluorocyclohexa-1,4-diene is sourced from PubChem (CID 12676455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).